Vitas-M small molecule compound
6-{[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK471154
SMILES N#Cc1c(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc(c1c1ccc(cc1)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 C23H24N2O3S MW 408.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O3S/c1-12-5-7-16(8-6-12)20-15(4)29-22(19(20)11-24)25-21(26)17-9-13(2)14(3)10-18(17)23(27)28/h5-8,17-18H,9-10H2,1-4H3,(H,25,26)(H,27,28)InChIKey
ZZRSVDNKCRYOFK-UHFFFAOYSA-NSynonyms
6((3cyano5methyl4(4methylphenyl)thiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(3CYANO5METHYL4(4METHYLPHENYL)(2THIENYL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)C)C#N)C(=O)O)C
InChI=1SC23H24N2O3Sc1125716(8612)2015(4)2922(19(20)1124)2521(26)17913(2)14(3)1018(17)23(27)28h581718H910H214H3(H2526)(H2728)
MFCD06022118
ZINC000017088048
ZINC000017088051
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