Vitas-M small molecule compound
(S)-2-((2S,3R)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-methylpentanamido)-3-methylbutanoic acid
Catalog ID
STL529622
SMILES CCC([C@@H](C(=O)N[C@H](C(=O)O)C(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 C28H43N3O6 MW 517.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H43N3O6/c1-8-19(4)22(23(32)29-21(18(2)3)24(33)34)30-25(35)28(20-12-10-9-11-13-20)14-16-31(17-15-28)26(36)37-27(5,6)7/h9-13,18-19,21-22H,8,14-17H2,1-7H3,(H,29,32)(H,30,35)(H,33,34)/t19?,21-,22-/m0/s1InChIKey
CHNINZUPRUGESY-GFUWAVFVSA-NSynonyms
956826-77-0(2~(S))3methyl2(((2~(S))3methyl2((1((2methylpropan2yl)oxycarbonyl)4phenylpiperidine4carbonyl)amino)pentanoyl)amino)butanoicacid
(R)2((2S3R)2(1(tertbutoxycarbonyl)4phenylpiperidine4carboxamido)3methylpentanamido)3methylbutanoicacid
16404822
956826770
CCC((C@@H)(C(=O)N(C@@H)(C(=O)O)C(C)C)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C
InChI=1SC28H43N3O6c1819(4)22(23(32)2921(18(2)3)24(33)34)3025(35)28(2012109111320)141631(171528)26(36)3727(56)7h91318192122H81417H217H3(H2932)(H3035)(H3334)t19?2122m0s1
ZINC000012885177
ZINC000012885186
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