Vitas-M small molecule compound
(2E)-2-{3-[(2,4-difluorophenoxy)methyl]-4-methoxybenzylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Catalog ID
STL175979
SMILES COc1ccc(cc1COc1ccc(cc1F)F)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)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 C36H29F2N3O5S MW 653.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29F2N3O5S/c1-21-32(34(42)40-26-7-5-4-6-8-26)33(23-10-13-27(44-2)14-11-23)41-35(43)31(47-36(41)39-21)18-22-9-15-29(45-3)24(17-22)20-46-30-16-12-25(37)19-28(30)38/h4-19,33H,20H2,1-3H3,(H,40,42)/b31-18+InChIKey
QYLXGHWRFUGJDV-FDAWAROLSA-NSynonyms
512814-66-3(2E)2((3((24difluorophenoxy)methyl)4methoxyphenyl)methylidene)5(4methoxyphenyl)7methyl3oxoNphenyl5H(13)thiazolo(32a)pyrimidine6carboxamide
(2E)2(3((24difluorophenoxy)methyl)4methoxybenzylidene)5(4methoxyphenyl)7methyl3oxoNphenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxamide
2(3((24DIFLUOROPHENOXY)METHYL)4METHOXYBENZYLIDENE)5(4METHOXYPHENYL)7METHYL3OXONPHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
512814663
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)OC)C(=O)NC6=CC=CC=C6
COc1ccc(cc1COc1ccc(cc1F)F)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)Nc1ccccc1)C
InChI=1SC36H29F2N3O5Sc12132(34(42)40267546826)33(23101327(442)141123)4135(43)31(4736(41)3921)182291529(453)24(1722)204630161225(37)1928(30)38h41933H20H213H3(H4042)b3118+
MFCD03466947
ZINC000008455051
ZINC000008455052
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