Vitas-M small molecule compound
4-{[3-(cyclohexylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STK470883
SMILES CCC1CCc2c(C1)sc(c2C(=O)NC1CCCCC1)NC(=O)CCC(=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/c1-2-13-8-9-15-16(12-13)28-21(23-17(24)10-11-18(25)26)19(15)20(27)22-14-6-4-3-5-7-14/h13-14H,2-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)InChIKey
NDVTUPPZPKXWAA-UHFFFAOYSA-NSynonyms
4((3(cyclohexylcarbamoyl)6ethyl4567tetrahydro1benzothiophen2yl)amino)4oxobutanoicacid
CCC1CCC2=C(C1)SC(=C2C(=O)NC3CCCCC3)NC(=O)CCC(=O)O
InChI=1SC21H30N2O4Sc1213891516(1213)2821(2317(24)101118(25)26)19(15)20(27)22146435714h1314H212H21H3(H2227)(H2324)(H2526)
MFCD06021585
ZINC000017087453
ZINC000017087454
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