Vitas-M small molecule compound
6-{[3-(methoxycarbonyl)-5-methyl-4-phenylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK471654
SMILES COC(=O)c1c(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc(c1c1ccccc1)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 C23H25NO5S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5S/c1-12-10-16(17(22(26)27)11-13(12)2)20(25)24-21-19(23(28)29-4)18(14(3)30-21)15-8-6-5-7-9-15/h5-9,16-17H,10-11H2,1-4H3,(H,24,25)(H,26,27)InChIKey
XQRUKEZXUUSAGQ-UHFFFAOYSA-NSynonyms
6((3(methoxycarbonyl)5methyl4phenylthiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((3methoxycarbonyl5methyl4phenylthiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(3(METHOXYCARBONYL)5METHYL4PHENYL(2THIENYL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C(=O)O)C
InChI=1SC23H25NO5Sc1121016(17(22(26)27)1113(12)2)20(25)242119(23(28)294)18(14(3)3021)158657915h591617H1011H214H3(H2425)(H2627)
MFCD06027243
ZINC000017095441
ZINC000017095444
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