Vitas-M small molecule compound
ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(3-chlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK027165
SMILES CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C\c2ccc3c(c2)OCO3)/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 C21H16ClNO5S MW 429.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClNO5S/c1-2-26-21(25)18-19(24)17(9-12-6-7-15-16(8-12)28-11-27-15)29-20(18)23-14-5-3-4-13(22)10-14/h3-10,23H,2,11H2,1H3/b17-9-InChIKey
QEJKSXGMRYAGGU-MFOYZWKCSA-NSynonyms
CCOC(=O)C1=C(Nc2cccc(c2)Cl)SC(=Cc2ccc3c(c2)OCO3)C1=O
CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2)OCO3)C1=O)NC4=CC(=CC=C4)Cl
ETHYL(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)2((3CHLOROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)2(3CHLOROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(2H13BENZODIOXOL5YLMETHYLIDENE)2((3CHLOROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H16ClNO5Sc122621(25)1819(24)17(912671516(812)28112715)2920(18)231453413(22)1014h31023H211H21H3b179
MFCD02921138
STK027165
ZINC000013940690
ZINC13940690
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