Vitas-M small molecule compound

N-[(1-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-4-phenylpiperidin-4-yl)carbonyl]-L-leucine

Catalog ID
STK593104
SMILES CC(C[C@@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1)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 C33H43N3O6 MW 577.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N3O6/c1-22(2)19-26(29(38)39)34-30(40)33(25-13-7-6-8-14-25)15-17-35(18-16-33)28(37)27-20-23-11-9-10-12-24(23)21-36(27)31(41)42-32(3,4)5/h6-14,22,26-27H,15-21H2,1-5H3,(H,34,40)(H,38,39)/t26-,27-/m0/s1
InChIKey
MTOWHSWHTBFYKC-SVBPBHIXSA-N
Synonyms
1212565-10-0
(2S)4methyl2((1((3S)2((2methylpropan2yl)oxycarbonyl)34dihydro1Hisoquinoline3carbonyl)4phenylpiperidine4carbonyl)amino)pentanoicacid
(S)2(1((S)2(tertbutoxycarbonyl)1234tetrahydroisoquinoline3carbonyl)4phenylpiperidine4carboxamido)4methylpentanoicacid
1212565100
CC(C(C@@H)(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1)C
CC(C)CC(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C)C4=CC=CC=C4
InChI=1SC33H43N3O6c122(2)1926(29(38)39)3430(40)33(25137681425)151735(181633)28(37)272023119101224(23)2136(27)31(41)4232(34)5h614222627H1521H215H3(H3440)(H3839)t2627m0s1
MFCD07204640
N((1(((3S)2(tertbutoxycarbonyl)1234tetrahydroisoquinolin3yl)carbonyl)4phenylpiperidin4yl)carbonyl)Lleucine
ZINC000101670897
ZINC101670897

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Available files

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