Vitas-M small molecule compound
2-[(4-{(E)-[6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-5-bromo-2-methoxyphenoxy)methyl]benzonitrile
Catalog ID
STK675845
SMILES COc1cc(/C=c\2/sc3=NC(=C(C(n3c2=O)c2c(OC)ccc3c2cccc3)C(=O)C)C)c(cc1OCc1ccccc1C#N)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 C36H28BrN3O5S MW 694.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28BrN3O5S/c1-20-32(21(2)41)34(33-26-12-8-7-9-22(26)13-14-28(33)43-3)40-35(42)31(46-36(40)39-20)16-25-15-29(44-4)30(17-27(25)37)45-19-24-11-6-5-10-23(24)18-38/h5-17,34H,19H2,1-4H3/b31-16+InChIKey
TWUVWJFPOYJLMP-WCMJOSRZSA-NSynonyms
2((4((E)(6acetyl5(2methoxynaphthalen1yl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)5bromo2methoxyphenoxy)methyl)benzonitrile
2((4((E)(6ACETYL5(2METHOXYNAPHTHALEN1YL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)5BROMO2METHOXYPHENOXY)METHYL)BENZONITRILE
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3Br)OCC4=CC=CC=C4C#N)OC)SC2=N1)C5=C(C=CC6=CC=CC=C65)OC)C(=O)C
COc1cc(C=c2sc3=NC(=C(C(n3c2=O)c2c(OC)ccc3c2cccc3)C(=O)C)C)c(cc1OCc1ccccc1C#N)Br
InChI=1SC36H28BrN3O5Sc12032(21(2)41)34(33261287922(26)131428(33)433)4035(42)31(4636(40)3920)16251529(444)30(1727(25)37)45192411651023(24)1838h51734H19H214H3b3116+
MFCD01787582
ZINC000008425896
ZINC000008425898
Check stock
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Check stock on Vitas-MAvailable files
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