Vitas-M small molecule compound
ethyl (5Z)-2-[(2,4-dichlorophenyl)amino]-5-(1H-indol-3-ylmethylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158492
SMILES CCOC(=O)C1=C(S/C(=C\c2c[nH]c3c2cccc3)/C1=O)Nc1ccc(cc1Cl)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 C22H16Cl2N2O3S MW 459.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl2N2O3S/c1-2-29-22(28)19-20(27)18(9-12-11-25-16-6-4-3-5-14(12)16)30-21(19)26-17-8-7-13(23)10-15(17)24/h3-11,25-26H,2H2,1H3/b18-9-InChIKey
KBQPYINCQOZLAG-NVMNQCDNSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CNC3=CC=CC=C32)C1=O)NC4=C(C=C(C=C4)Cl)Cl
CCOC(=O)C1=C(SC(=Cc2c(nH)c3c2cccc3)C1=O)Nc1ccc(cc1Cl)Cl
ETHYL(5Z)2((24DICHLOROPHENYL)AMINO)5(1HINDOL3YLMETHYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(24DICHLOROANILINO)5(1HINDOL3YLMETHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC22H16Cl2N2O3Sc122922(28)1920(27)18(912112516643514(12)16)3021(19)26178713(23)1015(17)24h3112526H2H21H3b189
MFCD08680019
ZINC000014008897
ZINC14008897
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