Vitas-M small molecule compound
6-{[3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK471739
SMILES COC(=O)c1ccsc1NC(=O)C1CC(=C(CC1C(=O)O)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 C16H19NO5S MW 337.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO5S/c1-8-6-11(12(15(19)20)7-9(8)2)13(18)17-14-10(4-5-23-14)16(21)22-3/h4-5,11-12H,6-7H2,1-3H3,(H,17,18)(H,19,20)InChIKey
QIEBPZRXOWYLGO-UHFFFAOYSA-NSynonyms
6((3(methoxycarbonyl)thiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((3methoxycarbonylthiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(3(METHOXYCARBONYL)(2THIENYL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=C(C=CS2)C(=O)OC)C(=O)O)C
InChI=1SC16H19NO5Sc18611(12(15(19)20)79(8)2)13(18)171410(452314)16(21)223h451112H67H213H3(H1718)(H1920)
MFCD06025672
ZINC000017070861
ZINC000017070864
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