Vitas-M small molecule compound
(S)-2-((2S,3S)-2-(2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamido)-3-methylpentanamido)-4-(methylthio)butanoic acid
Catalog ID
STL534147
SMILES CSCC[C@@H](C(=O)O)NC(=O)[C@H](C(CC)C)NC(=O)N1CCn2c1nc1c2cccc1
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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 C21H29N5O4S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O4S/c1-4-13(2)17(18(27)22-15(19(28)29)9-12-31-3)24-21(30)26-11-10-25-16-8-6-5-7-14(16)23-20(25)26/h5-8,13,15,17H,4,9-12H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t13?,15-,17-/m0/s1InChIKey
WHXAGDDFGNLCJU-QJOPWCIASA-NSynonyms
957045-99-7(2~(S))2(((2~(S))2(12dihydroimidazo(12a)benzimidazole3carbonylamino)3methylpentanoyl)amino)4methylsulfanylbutanoicacid
(S)2((2S3S)2(23dihydro1Hbenzo(d)imidazo(12a)imidazole1carboxamido)3methylpentanamido)4(methylthio)butanoicacid
16406902
957045997
CSCC(C@@H)(C(=O)O)NC(=O)(C@H)(C(CC)C)NC(=O)N1CCn2c1nc1c2cccc1
InChI=1SC21H29N5O4Sc1413(2)17(18(27)2215(19(28)29)912313)2421(30)2611102516865714(16)2320(25)26h58131517H4912H213H3(H2227)(H2430)(H2829)t13?1517m0s1
MFCD08283488
ZINC000008792098
ZINC000012664459
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