Vitas-M small molecule compound

N-[(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-D-valyl-S-benzyl-D-cysteine

Catalog ID
STK576787
SMILES O=C(N[C@@H](C(=O)N[C@@H](C(=O)O)CSCc1ccccc1)C(C)C)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C

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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 C33H37N3O8S MW 635.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N3O8S/c1-17(2)28(31(39)35-25(32(40)41)16-45-15-21-9-7-6-8-10-21)36-27(38)13-34-26(37)12-24-19(4)23-11-22-18(3)14-43-29(22)20(5)30(23)44-33(24)42/h6-11,14,17,25,28H,12-13,15-16H2,1-5H3,(H,34,37)(H,35,39)(H,36,38)(H,40,41)/t25-,28-/m1/s1
InChIKey
BLPIGZFOGFOQRR-LEAFIULHSA-N
Synonyms
1014042-42-2
(2S)3benzylsulfanyl2(((2R)3methyl2((2((2(359trimethyl7oxofuro(32g)chromen6yl)acetyl)amino)acetyl)amino)butanoyl)amino)propanoicacid
(S)3(benzylthio)2((R)3methyl2(2(2(359trimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)acetamido)butanamido)propanoicacid
1014042422
CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CSCC4=CC=CC=C4)C(=O)O)C)C
InChI=1SC33H37N3O8Sc117(2)28(31(39)3525(32(40)41)1645152197681021)3627(38)133426(37)122419(4)23112218(3)144329(22)20(5)30(23)4433(24)42h61114172528H12131516H215H3(H3437)(H3539)(H3638)(H4041)t2528m1s1
MFCD18245561
N((359trimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)glycylDvalylSbenzylDcysteine
O=C(N(C@@H)(C(=O)N(C@@H)(C(=O)O)CSCc1ccccc1)C(C)C)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C
ZINC000097956966
ZINC97956966

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Available files

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