Vitas-M small molecule compound
2-[(4-{(E)-[3-(4-bromo-3-chlorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzonitrile
Catalog ID
STL378604
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)Cl)Br
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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 C26H18BrClN2O3S2 MW 585.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18BrClN2O3S2/c1-2-32-23-11-16(7-10-22(23)33-15-18-6-4-3-5-17(18)14-29)12-24-25(31)30(26(34)35-24)19-8-9-20(27)21(28)13-19/h3-13H,2,15H2,1H3/b24-12+InChIKey
SHHUFILQRVCLJE-WYMPLXKRSA-NSynonyms
2((4((E)(3(4BROMO3CHLOROPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)BENZONITRILE
2((4((E)(3(4bromo3chlorophenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2ethoxyphenoxy)methyl)benzonitrile
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)Br)Cl)OCC4=CC=CC=C4C#N
CCOc1cc(ccc1OCc1ccccc1C#N)C=C1SC(=S)N(C1=O)c1ccc(c(c1)Cl)Br
InChI=1SC26H18BrClN2O3S2c1232231116(71022(23)331518643517(18)1429)122425(31)30(26(34)3524)198920(27)21(28)1319h313H215H21H3b2412+
MFCD03614140
ZINC000100317648
ZINC100317648
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