Vitas-M small molecule compound
N-(3,4-dimethylphenyl)-2-(4-{(E)-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)acetamide
Catalog ID
STL378902
SMILES COc1cc(ccc1OCC(=O)Nc1ccc(c(c1)C)C)/C=C\1/SC(=S)N(C1=O)n1c(C)ccc1C
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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 C27H27N3O4S2 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S2/c1-16-6-10-21(12-17(16)2)28-25(31)15-34-22-11-9-20(13-23(22)33-5)14-24-26(32)30(27(35)36-24)29-18(3)7-8-19(29)4/h6-14H,15H2,1-5H3,(H,28,31)/b24-14+InChIKey
CWUCPCHJZPZUGU-ZVHZXABRSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)N4C(=CC=C4C)C)OC)C
COc1cc(ccc1OCC(=O)Nc1ccc(c(c1)C)C)C=C1SC(=S)N(C1=O)n1c(C)ccc1C
InChI=1SC27H27N3O4S2c11661021(1217(16)2)2825(31)15342211920(1323(22)335)142426(32)30(27(35)3624)2918(3)7819(29)4h614H15H215H3(H2831)b2414+
MFCD03614514
N(34dimethylphenyl)2(4((E)(3(25dimethyl1Hpyrrol1yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)acetamide
N(34DIMETHYLPHENYL)2(4((E)(3(25DIMETHYLPYRROL1YL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETAMIDE
ZINC000033337458
ZINC33337458
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