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Vitas-M small molecule compound

cyclo(leucylphenylalanylprolylvalylornithylleucylphenylalanylprolylvalylornithyl)

Catalog ID
STK177209
SMILES NCCCC1NC(=O)C(NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC1=O)CC(C)C)Cc1ccccc1)CCC2)C(C)C)CCCN)C(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C60H92N12O10 MW 1141.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-1
InChIKey
IUAYMJGZBVDSGL-UHFFFAOYSA-N
Synonyms

(6S9R12R15R17aR23S26R29R32R34aR)1229bis(3aminopropyl)623dibenzyl926diisobutyl1532diisopropyltetracosahydrodipyrrolo(12a12p)(14710131619222528)decaazacyclotriacontine581114172225283134decaone
CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN)C(C)C)CC5=CC=CC=C5
CYCLO(LEUCYLPHENYLALANYLPROLYLVALYLORNITHYLLEUCYLPHENYLALANYLPROLYLVALYLORNITHYL)
CYCLO(LLEUCYLDPHENYLALANYLLPROLYLLVALYLLORNITHYLLLEUCYLDPHENYLALANYLLPROLYLLVALYLLORNITHYL)
InChI=1SC60H92N12O10c135(2)314353(75)6745(333919119122039)59(81)7129172547(71)55(77)7050(38(7)8)58(80)6442(24162862)52(74)6644(3236(3)4)54(76)6846(3440211310142240)60(82)7230182648(72)56(78)6949(37(5)6)57(79)6341(23152761)51(73)6543h914192235384150H1
MFCD00304145
NCCC(C@H)1NC(=O)(C@H)(NC(=O)(C@H)2CCCN2C(=O)(C@H)(Cc2ccccc2)NC(=O)(C@@H)(CC(C)C)NC(=O)(C@H)(NC(=O)(C@H)(NC(=O)(C@@H)2N(C(=O)(C@@H)(NC(=O)(C@H)(NC1=O)CC(C)C)Cc1ccccc1)CCC2)C(C)C)CCCN)C(C)C

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

Download SDF Download MOL 3D structure Download SDS