Vitas-M small molecule compound
4-[(2-bromo-4-{(E)-[3-(3-chloro-4-fluorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzonitrile
Catalog ID
STK320406
SMILES N#Cc1ccc(cc1)COc1c(Br)cc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)Cl)F
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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 C25H15BrClFN2O3S2 MW 589.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15BrClFN2O3S2/c1-32-21-9-16(8-18(26)23(21)33-13-15-4-2-14(12-29)3-5-15)10-22-24(31)30(25(34)35-22)17-6-7-20(28)19(27)11-17/h2-11H,13H2,1H3/b22-10+InChIKey
NLHAILALPUCOBE-LSHDLFTRSA-NSynonyms
4((2BROMO4((E)(3(3CHLORO4FLUOROPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)6METHOXYPHENOXY)METHYL)BENZONITRILE
4((2BROMO4((E)(3(3CHLORO4FLUOROPHENYL)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)6METHOXYPHENOXY)METHYL)BENZONITRILE
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)F)Cl)Br)OCC4=CC=C(C=C4)C#N
InChI=1SC25H15BrClFN2O3S2c13221916(818(26)23(21)3313154214(1229)3515)102224(31)30(25(34)3522)176720(28)19(27)1117h211H13H21H3b2210+
MFCD03614273
N#Cc1ccc(cc1)COc1c(Br)cc(cc1OC)C=C1SC(=S)N(C1=O)c1ccc(c(c1)Cl)F
ZINC000097962209
ZINC97962209
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