Vitas-M small molecule compound
ethyl (5Z)-2-[(4-chlorophenyl)amino]-5-(1H-indol-3-ylmethylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK028928
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C\c2c[nH]c3c2cccc3)/C1=O
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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 C22H17ClN2O3S MW 424.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O3S/c1-2-28-22(27)19-20(26)18(11-13-12-24-17-6-4-3-5-16(13)17)29-21(19)25-15-9-7-14(23)8-10-15/h3-12,24-25H,2H2,1H3/b18-11-InChIKey
JSKDZTNSHHRELF-WQRHYEAKSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2c(nH)c3c2cccc3)C1=O
CCOC(=O)C1=C(SC(=CC2=CNC3=CC=CC=C32)C1=O)NC4=CC=C(C=C4)Cl
ETHYL(5Z)2((4CHLOROPHENYL)AMINO)5(1HINDOL3YLMETHYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4CHLOROANILINO)5(1HINDOL3YLMETHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC22H17ClN2O3Sc122822(27)1920(26)18(1113122417643516(13)17)2921(19)25159714(23)81015h3122425H2H21H3b1811
MFCD02803039
STK028928
ZINC000013119726
ZINC13119726
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