Vitas-M small molecule compound
4-methyl-N-(2,2,2-trichloro-1-{4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenoxy}ethyl)benzamide
Catalog ID
STK821998
SMILES COc1cc(CCN2C(=S)S/C(=C\c3ccc(cc3)OC(C(Cl)(Cl)Cl)NC(=O)c3ccc(cc3)C)/C2=O)ccc1OC
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H27Cl3N2O5S2 MW 666.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27Cl3N2O5S2/c1-18-4-9-21(10-5-18)26(36)34-28(30(31,32)33)40-22-11-6-19(7-12-22)17-25-27(37)35(29(41)42-25)15-14-20-8-13-23(38-2)24(16-20)39-3/h4-13,16-17,28H,14-15H2,1-3H3,(H,34,36)/b25-17-InChIKey
FLBLHAUPJUILKV-UQQQWYQISA-NSynonyms
4methylN(222trichloro1(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenoxy)ethyl)benzamide
4methylN(222trichloro1(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)ethyl)benzamide
CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)OC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC
COc1cc(CCN2C(=S)SC(=Cc3ccc(cc3)OC(C(Cl)(Cl)Cl)NC(=O)c3ccc(cc3)C)C2=O)ccc1OC
InChI=1SC30H27Cl3N2O5S2c1184921(10518)26(36)3428(30(3132)33)402211619(71222)172527(37)35(29(41)4225)15142081323(382)24(1620)393h413161728H1415H213H3(H3436)b2517
MFCD03463172
ZINC000097946994
ZINC000097946995
Check stock
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Check stock on Vitas-MAvailable files
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