Vitas-M small molecule compound

(S)-3-(1H-indol-3-yl)-2-(1-((2S,3R)-3-methyl-2-(4-methylphenylsulfonamido)pentanoyl)piperidine-4-carboxamido)propanoic acid

Catalog ID
STL565465
SMILES CCC([C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NS(=O)(=O)c1ccc(cc1)C)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 C30H38N4O6S MW 582.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N4O6S/c1-4-20(3)27(33-41(39,40)23-11-9-19(2)10-12-23)29(36)34-15-13-21(14-16-34)28(35)32-26(30(37)38)17-22-18-31-25-8-6-5-7-24(22)25/h5-12,18,20-21,26-27,31,33H,4,13-17H2,1-3H3,(H,32,35)(H,37,38)/t20?,26-,27-/m0/s1
InChIKey
HEXCLMVXTUWSSM-MPEZEPLXSA-N
Synonyms
956955-08-1
(2S)3(1Hindol3yl)2((1((2S)3methyl2((4methylphenyl)sulfonylamino)pentanoyl)piperidine4carbonyl)amino)propanoicacid
(S)3(1Hindol3yl)2(1((2S3R)3methyl2(4methylphenylsulfonamido)pentanoyl)piperidine4carboxamido)propanoicacid
16400125
956955081
CCC((C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)O)Cc1c(nH)c2c1cccc2)NS(=O)(=O)c1ccc(cc1)C)C
InChI=1SC30H38N4O6Sc1420(3)27(3341(3940)2311919(2)101223)29(36)34151321(141634)28(35)3226(30(37)38)1722183125865724(22)25h51218202126273133H41317H213H3(H3235)(H3738)t20?2627m0s1
ZINC000070687083
ZINC000070687086

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Available files

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