Vitas-M small molecule compound
4-[(2-bromo-6-methoxy-4-{(E)-[3-(2-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STL378912
SMILES N#Cc1ccc(cc1)COc1c(Br)cc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1ccccc1OC
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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 C26H19BrN2O4S2 MW 567.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrN2O4S2/c1-31-21-6-4-3-5-20(21)29-25(30)23(35-26(29)34)13-18-11-19(27)24(22(12-18)32-2)33-15-17-9-7-16(14-28)8-10-17/h3-13H,15H2,1-2H3/b23-13+InChIKey
LZGJSANIOOMKFD-YDZHTSKRSA-NSynonyms
4((2BROMO6METHOXY4((E)(3(2METHOXYPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
4((2bromo6methoxy4((E)(3(2methoxyphenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)methyl)benzonitrile
COC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)C#N)OC)SC2=S
InChI=1SC26H19BrN2O4S2c13121643520(21)2925(30)23(3526(29)34)13181119(27)24(22(1218)322)3315179716(1428)81017h313H15H212H3b2313+
MFCD03614526
N#Cc1ccc(cc1)COc1c(Br)cc(cc1OC)C=C1SC(=S)N(C1=O)c1ccccc1OC
ZINC000100338957
ZINC100338957
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