Vitas-M small molecule compound
(2E)-5-(4-chlorophenyl)-2-{3-[(2,4-difluorophenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Catalog ID
STL175987
SMILES COc1ccc(cc1COc1ccc(cc1F)F)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)Cl)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 C35H26ClF2N3O4S MW 658.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26ClF2N3O4S/c1-20-31(33(42)40-26-6-4-3-5-7-26)32(22-9-11-24(36)12-10-22)41-34(43)30(46-35(41)39-20)17-21-8-14-28(44-2)23(16-21)19-45-29-15-13-25(37)18-27(29)38/h3-18,32H,19H2,1-2H3,(H,40,42)/b30-17+InChIKey
XKIDIBBYCPEKMX-OCSSWDANSA-NSynonyms
512814-48-1(2E)5(4chlorophenyl)2((3((24difluorophenoxy)methyl)4methoxyphenyl)methylidene)7methyl3oxoNphenyl5H(13)thiazolo(32a)pyrimidine6carboxamide
(2E)5(4chlorophenyl)2(3((24difluorophenoxy)methyl)4methoxybenzylidene)7methyl3oxoNphenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxamide
5(4CHLOROPHENYL)2(3((24DIFLUOROPHENOXY)METHYL)4METHOXYBENZYLIDENE)7METHYL3OXONPHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
512814481
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)F)F)SC2=N1)C5=CC=C(C=C5)Cl)C(=O)NC6=CC=CC=C6
COc1ccc(cc1COc1ccc(cc1F)F)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)Cl)C(=O)Nc1ccccc1)C
InChI=1SC35H26ClF2N3O4Sc12031(33(42)40266435726)32(2291124(36)121022)4134(43)30(4635(41)3920)172181428(442)23(1621)194529151325(37)1827(29)38h31832H19H212H3(H4042)b3017+
MFCD03466899
ZINC000008455036
ZINC000008455037
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