Vitas-M small molecule compound
6-({3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK471302
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)Nc1sccc1C(=O)Nc1ccc(cc1)Cl
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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 C21H21ClN2O4S MW 432.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O4S/c1-11-9-16(17(21(27)28)10-12(11)2)19(26)24-20-15(7-8-29-20)18(25)23-14-5-3-13(22)4-6-14/h3-8,16-17H,9-10H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)InChIKey
CILRTPSCUCEWGO-UHFFFAOYSA-NSynonyms
6((3((4chlorophenyl)carbamoyl)thiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
CC1=C(CC(C(C1)C(=O)NC2=C(C=CS2)C(=O)NC3=CC=C(C=C3)Cl)C(=O)O)C
InChI=1SC21H21ClN2O4Sc111916(17(21(27)28)1012(11)2)19(26)242015(782920)18(25)23145313(22)4614h381617H910H212H3(H2325)(H2426)(H2728)
MFCD06025313
ZINC000017098227
ZINC000017098230
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