Vitas-M small molecule compound

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

Catalog ID
STL533574
SMILES CCC([C@@H](C(=O)N[C@@H](C(CC)C)C(=O)O)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/c1-8-19(3)22(24(33)30-23(25(34)35)20(4)9-2)31-26(36)29(21-13-11-10-12-14-21)15-17-32(18-16-29)27(37)38-28(5,6)7/h10-14,19-20,22-23H,8-9,15-18H2,1-7H3,(H,30,33)(H,31,36)(H,34,35)/t19?,20?,22-,23-/m0/s1
InChIKey
MEFRVYMNPFVZGA-AEDUHMMZSA-N
Synonyms
956954-01-1
(2~(S))3methyl2(((2~(S))3methyl2((1((2methylpropan2yl)oxycarbonyl)4phenylpiperidine4carbonyl)amino)pentanoyl)amino)pentanoicacid
(2S3R)2((2S3R)2(1(tertbutoxycarbonyl)4phenylpiperidine4carboxamido)3methylpentanamido)3methylpentanoicacid
16404791
956954011
CCC((C@@H)(C(=O)N(C@@H)(C(CC)C)C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C
InChI=1SC29H45N3O6c1819(3)22(24(33)3023(25(34)35)20(4)92)3126(36)29(21131110121421)151732(181629)27(37)3828(56)7h101419202223H891518H217H3(H3033)(H3136)(H3435)t19?20?2223m0s1
ZINC000012885048
ZINC000012885070

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Available files

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