Vitas-M small molecule compound
methyl (2E)-[(2Z)-2-(1-cyano-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]ethanoate
Catalog ID
STK740672
SMILES COC(=O)/C=c\1/s/c(=C(\C(=O)NCCc2ccc(c(c2)OC)OC)/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 C25H23N3O6S MW 493.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O6S/c1-32-19-10-9-16(13-20(19)33-2)11-12-27-23(30)18(15-26)25-28(17-7-5-4-6-8-17)24(31)21(35-25)14-22(29)34-3/h4-10,13-14H,11-12H2,1-3H3,(H,27,30)/b21-14+,25-18-InChIKey
DECZYPHDFFVWFF-HSVWJNBRSA-NSynonyms
(E)methyl2((E)2(1cyano2((34dimethoxyphenethyl)amino)2oxoethylidene)4oxo3phenylthiazolidin5ylidene)acetate
COC(=O)C=c1sc(=C(C(=O)NCCc2ccc(c(c2)OC)OC)C#N)n(c1=O)c1ccccc1
COC1=C(C=C(C=C1)CCNC(=O)C(=C2N(C(=O)C(=CC(=O)OC)S2)C3=CC=CC=C3)C#N)OC
InChI=1SC25H23N3O6Sc1321910916(1320(19)332)11122723(30)18(1526)2528(177546817)24(31)21(3525)1422(29)343h4101314H1112H213H3(H2730)b2114+2518
methyl(2E)((2Z)2(1cyano2((2(34dimethoxyphenyl)ethyl)amino)2oxoethylidene)4oxo3phenyl13thiazolidin5ylidene)ethanoate
METHYL(2E)2((2Z)2(1CYANO2(2(34DIMETHOXYPHENYL)ETHYLAMINO)2OXOETHYLIDENE)4OXO3PHENYL13THIAZOLIDIN5YLIDENE)ACETATE
METHYL2(2((N(2(34DIMETHOXYPHENYL)ETHYL)CARBAMOYL)CYANOMETHYLENE)4OXO3PHENYL13THIAZOLIDIN5YLIDENE)ACETATE
MFCD06438441
ZINC000012273829
ZINC12273829
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