Vitas-M small molecule compound
ethyl 4-(5-{(E)-[(2Z)-2-{1-cyano-2-[(furan-2-ylmethyl)amino]-2-oxoethylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK740566
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=c\1/s/c(=C(\C(=O)NCc2ccco2)/C#N)/n(c1=O)c1ccccc1
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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 C31H23N3O6S MW 565.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N3O6S/c1-2-38-31(37)21-12-10-20(11-13-21)26-15-14-23(40-26)17-27-29(36)34(22-7-4-3-5-8-22)30(41-27)25(18-32)28(35)33-19-24-9-6-16-39-24/h3-17H,2,19H2,1H3,(H,33,35)/b27-17+,30-25-InChIKey
TWZJUZKPKRZDMX-RDXJAXKBSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=C(C#N)C(=O)NCC4=CC=CO4)S3)C5=CC=CC=C5
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=c1sc(=C(C(=O)NCc2ccco2)C#N)n(c1=O)c1ccccc1
ETHYL4(5((2(CYANO(N(2FURYLMETHYL)CARBAMOYL)METHYLENE)4OXO3PHENYL13THIAZOLIDIN5YLIDENE)METHYL)2FURYL)BENZOATE
ethyl4(5((E)((2Z)2(1cyano2((furan2ylmethyl)amino)2oxoethylidene)4oxo3phenyl13thiazolidin5ylidene)methyl)furan2yl)benzoate
ETHYL4(5((E)((2Z)2(1CYANO2(FURAN2YLMETHYLAMINO)2OXOETHYLIDENE)4OXO3PHENYL13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOATE
ethyl4(5((E)((Z)2(1cyano2((furan2ylmethyl)amino)2oxoethylidene)4oxo3phenylthiazolidin5ylidene)methyl)furan2yl)benzoate
InChI=1SC31H23N3O6Sc123831(37)21121020(111321)26151423(4026)172729(36)34(227435822)30(4127)25(1832)28(35)33192496163924h317H219H21H3(H3335)b2717+3025
MFCD06438381
ZINC000097968736
ZINC97968736
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