Vitas-M small molecule compound
2-ethoxy-4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Catalog ID
STK797399
SMILES COCCN1C(=S)S/C(=C\c2ccc(c(c2)OCC)OC(=O)/C=C/c2ccc(cc2)OC)/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 C25H25NO6S2 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO6S2/c1-4-31-21-15-18(16-22-24(28)26(13-14-29-2)25(33)34-22)7-11-20(21)32-23(27)12-8-17-5-9-19(30-3)10-6-17/h5-12,15-16H,4,13-14H2,1-3H3/b12-8+,22-16-InChIKey
HTQBUHVEIZUCOC-PQDRHWHSSA-NSynonyms
(2ETHOXY4((Z)(3(2METHOXYETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)(E)3(4METHOXYPHENYL)PROP2ENOATE
2ethoxy4((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl(2E)3(4methoxyphenyl)prop2enoate
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCOC)OC(=O)C=CC3=CC=C(C=C3)OC
COCCN1C(=S)SC(=Cc2ccc(c(c2)OCC)OC(=O)C=Cc2ccc(cc2)OC)C1=O
InChI=1SC25H25NO6S2c1431211518(162224(28)26(1314292)25(33)3422)71120(21)3223(27)128175919(303)10617h5121516H41314H213H3b128+2216
MFCD03139458
ZINC000016115048
ZINC16115048
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