Vitas-M small molecule compound
methyl 4-(5-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoate
Catalog ID
STK823092
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)OC)/C(=O)NC1CCS(=O)(=O)C1
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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 C20H18N2O6S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6S/c1-27-20(24)14-4-2-13(3-5-14)18-7-6-17(28-18)10-15(11-21)19(23)22-16-8-9-29(25,26)12-16/h2-7,10,16H,8-9,12H2,1H3,(H,22,23)/b15-10+InChIKey
NAWWTYBDIYHQJP-XNTDXEJSSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3CCS(=O)(=O)C3
InChI=1SC20H18N2O6Sc12720(24)144213(3514)187617(2818)1015(1121)19(23)22168929(2526)1216h271016H8912H21H3(H2223)b1510+
methyl4(5((1E)2cyano3((11dioxidotetrahydrothiophen3yl)amino)3oxoprop1en1yl)furan2yl)benzoate
methyl4(5((E)2cyano3((11dioxothiolan3yl)amino)3oxoprop1enyl)furan2yl)benzoate
MFCD03463643
N#CC(=Cc1ccc(o1)c1ccc(cc1)C(=O)OC)C(=O)NC1CCS(=O)(=O)C1
ZINC000027018466
ZINC000027018471
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