Vitas-M small molecule compound
5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
Catalog ID
STL133929
SMILES O=C(CC(CC(=O)O)(C)C)Nc1sc2c(c1C(=O)N)CCCC2
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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 C16H22N2O4S MW 338.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O4S/c1-16(2,8-12(20)21)7-11(19)18-15-13(14(17)22)9-5-3-4-6-10(9)23-15/h3-8H2,1-2H3,(H2,17,22)(H,18,19)(H,20,21)InChIKey
NZMDMHCNZXHGGJ-UHFFFAOYSA-NSynonyms
5((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)33dimethyl5oxopentanoicacid
CC(C)(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)CC(=O)O
InChI=1SC16H22N2O4Sc116(2812(20)21)711(19)181513(14(17)22)9534610(9)2315h38H212H3(H21722)(H1819)(H2021)
MFCD05027146
ZINC000000423041
ZINC423041
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