Vitas-M small molecule compound
ethyl 4-(4-chlorophenyl)-2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}thiophene-3-carboxylate
Catalog ID
STL024303
SMILES CCOC(=O)c1c(NC=C2C(=O)CC(CC2=O)(C)C)scc1c1ccc(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 C22H22ClNO4S MW 431.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO4S/c1-4-28-21(27)19-16(13-5-7-14(23)8-6-13)12-29-20(19)24-11-15-17(25)9-22(2,3)10-18(15)26/h5-8,11-12,24H,4,9-10H2,1-3H3InChIKey
DOKPPMBEAFKPII-UHFFFAOYSA-NSynonyms
4(4CHLOROPHENYL)2((44DIMETHYL26DIOXOCYCLOHEXYLIDENEMETHYL)AMINO)THIOPHENE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC=C3C(=O)CC(CC3=O)(C)C
ethyl4(4chlorophenyl)2(((44dimethyl26dioxocyclohexylidene)methyl)amino)thiophene3carboxylate
ETHYL4(4CHLOROPHENYL)2((44DIMETHYL26DIOXOCYCLOHEXYLIDENE)METHYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H22ClNO4Sc142821(27)1916(135714(23)8613)122920(19)24111517(25)922(23)1018(15)26h58111224H4910H213H3
MFCD03564534
ZINC000101019670
ZINC101019670
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