Vitas-M small molecule compound
methyl (5Z)-2-[(4-fluorophenyl)amino]-5-(1H-indol-3-ylmethylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158494
SMILES COC(=O)C1=C(Nc2ccc(cc2)F)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 C21H15FN2O3S MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15FN2O3S/c1-27-21(26)18-19(25)17(10-12-11-23-16-5-3-2-4-15(12)16)28-20(18)24-14-8-6-13(22)7-9-14/h2-11,23-24H,1H3/b17-10-InChIKey
TYBXUOWTJHHAHI-YVLHZVERSA-NSynonyms
COC(=O)C1=C(Nc2ccc(cc2)F)SC(=Cc2c(nH)c3c2cccc3)C1=O
COC(=O)C1=C(SC(=CC2=CNC3=CC=CC=C32)C1=O)NC4=CC=C(C=C4)F
InChI=1SC21H15FN2O3Sc12721(26)1819(25)17(1012112316532415(12)16)2820(18)24148613(22)7914h2112324H1H3b1710
METHYL(5Z)2((4FLUOROPHENYL)AMINO)5(1HINDOL3YLMETHYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
METHYL(5Z)2(4FLUOROANILINO)5(1HINDOL3YLMETHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
MFCD06239407
ZINC000018265239
ZINC18265239
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