Vitas-M small molecule compound
methyl (5Z)-2-[(3,4-dichlorophenyl)amino]-5-(1H-indol-3-ylmethylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL447189
SMILES COC(=O)C1=C(Nc2ccc(c(c2)Cl)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 C21H14Cl2N2O3S MW 445.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14Cl2N2O3S/c1-28-21(27)18-19(26)17(8-11-10-24-16-5-3-2-4-13(11)16)29-20(18)25-12-6-7-14(22)15(23)9-12/h2-10,24-25H,1H3/b17-8-InChIKey
ZITXVNOSCMJZKG-IUXPMGMMSA-NSynonyms
COC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)SC(=Cc2c(nH)c3c2cccc3)C1=O
COC(=O)C1=C(SC(=CC2=CNC3=CC=CC=C32)C1=O)NC4=CC(=C(C=C4)Cl)Cl
InChI=1SC21H14Cl2N2O3Sc12821(27)1819(26)17(811102416532413(11)16)2920(18)25126714(22)15(23)912h2102425H1H3b178
methyl(5Z)2((34dichlorophenyl)amino)5(1Hindol3ylmethylidene)4oxo45dihydrothiophene3carboxylate
METHYL(5Z)2(34DICHLOROANILINO)5(1HINDOL3YLMETHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
MFCD06239406
ZINC000008750238
ZINC8750238
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