Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK325750
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1cn(c3c1cccc3)Cc1ccccc1Cl)/s2
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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 C32H26ClN3O3S MW 568.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26ClN3O3S/c1-3-39-31(38)28-20(2)34-32-36(29(28)21-11-5-4-6-12-21)30(37)27(40-32)17-23-19-35(26-16-10-8-14-24(23)26)18-22-13-7-9-15-25(22)33/h4-17,19,29H,3,18H2,1-2H3/b27-17-InChIKey
XQYQYHSKYHMRLD-PKAZHMFMSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cn(c3c1cccc3)Cc1ccccc1Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6Cl)S2)C
ETHYL(2Z)2((1((2CHLOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2((1(2CHLOROBENZYL)1HINDOL3YL)METHYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2((1((2CHLOROPHENYL)METHYL)INDOL3YL)METHYLENE)7METHYL3OXO5PHENYL45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC32H26ClN3O3Sc133931(38)2820(2)343236(29(28)21115461221)30(37)27(4032)17231935(26161081424(23)26)182213791525(22)33h4171929H318H212H3b2717
MFCD01593303
ZINC000003772395
ZINC000003772397
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