Vitas-M small molecule compound
5-{[6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-5-oxopentanoic acid
Catalog ID
STK470814
SMILES O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC(C2)C(C)(C)C)CCCC(=O)O
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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 C21H30N2O4S MW 406.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N2O4S/c1-21(2,3)12-7-10-14-15(11-12)28-20(18(14)19(27)22-13-8-9-13)23-16(24)5-4-6-17(25)26/h12-13H,4-11H2,1-3H3,(H,22,27)(H,23,24)(H,25,26)InChIKey
BMWHUZSKPRUPHD-UHFFFAOYSA-NSynonyms
5((6tertbutyl3(cyclopropylcarbamoyl)4567tetrahydro1benzothiophen2yl)amino)5oxopentanoicacid
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)CCCC(=O)O
InChI=1SC21H30N2O4Sc121(23)127101415(1112)2820(18(14)19(27)22138913)2316(24)54617(25)26h1213H411H213H3(H2227)(H2324)(H2526)
MFCD06021827
ZINC000017087459
ZINC000017087460
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