Vitas-M small molecule compound
(2E)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-N,5-diphenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Catalog ID
STL172094
SMILES COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Nc1ccccc1)C
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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 C35H26Cl3N3O4S MW 691.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26Cl3N3O4S/c1-20-30(33(42)40-25-11-7-4-8-12-25)31(22-9-5-3-6-10-22)41-34(43)29(46-35(41)39-20)16-21-13-14-28(44-2)23(15-21)19-45-32-26(37)17-24(36)18-27(32)38/h3-18,31H,19H2,1-2H3,(H,40,42)/b29-16+InChIKey
LAZZSRXESXLROH-MUFRIFMGSA-NSynonyms
353789-90-9(2E)2((4methoxy3((246trichlorophenoxy)methyl)phenyl)methylidene)7methyl3oxoN5diphenyl5H(13)thiazolo(32a)pyrimidine6carboxamide
(2E)2(4methoxy3((246trichlorophenoxy)methyl)benzylidene)7methyl3oxoN5diphenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxamide
2(4METHOXY3((246TRICHLOROPHENOXY)METHYL)BENZYLIDENE)7METHYL3OXON5DIPHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
353789909
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4Cl)Cl)Cl)SC2=N1)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6
COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)C=c1sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Nc1ccccc1)C
InChI=1SC35H26Cl3N3O4Sc12030(33(42)4025117481225)31(2295361022)4134(43)29(4635(41)3920)1621131428(442)23(1521)19453226(37)1724(36)1827(32)38h31831H19H212H3(H4042)b2916+
MFCD01920986
ZINC000008432671
ZINC000097959397
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