Vitas-M small molecule compound
(S)-2-((2S,3R)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-methylpentanamido)-4-methylpentanoic acid
Catalog ID
STL529570
SMILES CCC([C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)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 C29H45N3O6 MW 531.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H45N3O6/c1-8-20(4)23(24(33)30-22(25(34)35)18-19(2)3)31-26(36)29(21-12-10-9-11-13-21)14-16-32(17-15-29)27(37)38-28(5,6)7/h9-13,19-20,22-23H,8,14-18H2,1-7H3,(H,30,33)(H,31,36)(H,34,35)/t20?,22-,23-/m0/s1InChIKey
BGEFKDCSFXKAOC-FALYVICWSA-NSynonyms
956146-92-2(2~(S))4methyl2(((2~(S))3methyl2((1((2methylpropan2yl)oxycarbonyl)4phenylpiperidine4carbonyl)amino)pentanoyl)amino)pentanoicacid
(S)2((2S3R)2(1(tertbutoxycarbonyl)4phenylpiperidine4carboxamido)3methylpentanamido)4methylpentanoicacid
16405263
956146922
CCC((C@@H)(C(=O)N(C@H)(C(=O)O)CC(C)C)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C
InChI=1SC29H45N3O6c1820(4)23(24(33)3022(25(34)35)1819(2)3)3126(36)29(2112109111321)141632(171529)27(37)3828(56)7h91319202223H81418H217H3(H3033)(H3136)(H3435)t20?2223m0s1
ZINC000012887134
ZINC000012887141
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