Vitas-M small molecule compound
2-(4-{(E)-[3-(1,3-benzodioxol-5-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
Catalog ID
STL380010
SMILES COc1cc(ccc1OCC(=O)Nc1ccc(cc1)C)/C=C\1/SC(=S)N(C1=O)c1ccc2c(c1)OCO2
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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 C27H22N2O6S2 MW 534.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6S2/c1-16-3-6-18(7-4-16)28-25(30)14-33-20-9-5-17(11-22(20)32-2)12-24-26(31)29(27(36)37-24)19-8-10-21-23(13-19)35-15-34-21/h3-13H,14-15H2,1-2H3,(H,28,30)/b24-12+InChIKey
FHFNDNNGODYUGY-WYMPLXKRSA-NSynonyms
2(4((E)(3(13BENZODIOXOL5YL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)N(4METHYLPHENYL)ACETAMIDE
2(4((E)(3(13benzodioxol5yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)N(4methylphenyl)acetamide
CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CC5=C(C=C4)OCO5)OC
COc1cc(ccc1OCC(=O)Nc1ccc(cc1)C)C=C1SC(=S)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC27H22N2O6S2c1163618(7416)2825(30)1433209517(1122(20)322)122426(31)29(27(36)3724)198102123(1319)35153421h313H1415H212H3(H2830)b2412+
MFCD04085814
ZINC000100359099
ZINC100359099
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