Vitas-M small molecule compound

(S)-4-amino-2-((2S,3R)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-methylpentanamido)-4-oxobutanoic acid

Catalog ID
STL532264
SMILES CCC([C@@H](C(=O)N[C@H](C(=O)O)CC(=O)N)NC(=O)C1(CCN(CC1)C(=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 C27H40N4O7 MW 532.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N4O7/c1-6-17(2)21(22(33)29-19(23(34)35)16-20(28)32)30-24(36)27(18-10-8-7-9-11-18)12-14-31(15-13-27)25(37)38-26(3,4)5/h7-11,17,19,21H,6,12-16H2,1-5H3,(H2,28,32)(H,29,33)(H,30,36)(H,34,35)/t17?,19-,21-/m0/s1
InChIKey
WHOAUWXAUMPDLA-LMBAYHJBSA-N
Synonyms
956997-48-1
(2~(S))4amino2(((2~(S))3methyl2((1((2methylpropan2yl)oxycarbonyl)4phenylpiperidine4carbonyl)amino)pentanoyl)amino)4oxobutanoicacid
(S)4amino2((2S3R)2(1(tertbutoxycarbonyl)4phenylpiperidine4carboxamido)3methylpentanamido)4oxobutanoicacid
16405350
956997481
CCC((C@@H)(C(=O)N(C@H)(C(=O)O)CC(=O)N)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C
InChI=1SC27H40N4O7c1617(2)21(22(33)2919(23(34)35)1620(28)32)3024(36)27(18108791118)121431(151327)25(37)3826(34)5h711171921H61216H215H3(H22832)(H2933)(H3036)(H3435)t17?1921m0s1
ZINC000012887587
ZINC000012887594

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Available files

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