Vitas-M small molecule compound
methyl 4-{(Z)-[1-(4-ethoxyphenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-ylidene]methyl}benzoate
Catalog ID
STL369448
SMILES CCOc1ccc(cc1)N1C(=S)N(/C(=C\c2ccc(cc2)C(=O)OC)/C1=O)CC(=O)OC
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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 C23H22N2O6S MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6S/c1-4-31-18-11-9-17(10-12-18)25-21(27)19(24(23(25)32)14-20(26)29-2)13-15-5-7-16(8-6-15)22(28)30-3/h5-13H,4,14H2,1-3H3/b19-13-InChIKey
XNFVWKZBEQJIOS-UYRXBGFRSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)N(C2=S)CC(=O)OC
CCOc1ccc(cc1)N1C(=S)N(C(=Cc2ccc(cc2)C(=O)OC)C1=O)CC(=O)OC
InChI=1SC23H22N2O6Sc14311811917(101218)2521(27)19(24(23(25)32)1420(26)292)13155716(8615)22(28)303h513H414H213H3b1913
METHYL4((Z)(1(4ETHOXYPHENYL)3(2METHOXY2OXOETHYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)BENZOATE
methyl4((Z)(1(4ethoxyphenyl)3(2methoxy2oxoethyl)5oxo2thioxoimidazolidin4ylidene)methyl)benzoate
MFCD03722138
ZINC000001134042
ZINC01134042
ZINC1134042
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