Vitas-M small molecule compound
(2E)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Catalog ID
STL175971
SMILES COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Nc1ccccc1C)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 C36H28Cl3N3O4S MW 705.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28Cl3N3O4S/c1-20-9-7-8-12-28(20)41-34(43)31-21(2)40-36-42(32(31)23-10-5-4-6-11-23)35(44)30(47-36)16-22-13-14-29(45-3)24(15-22)19-46-33-26(38)17-25(37)18-27(33)39/h4-18,32H,19H2,1-3H3,(H,41,43)/b30-16+InChIKey
RVVZQULOLJSNTF-OKCVXOCRSA-NSynonyms
512815-21-3(2E)2((4methoxy3((246trichlorophenoxy)methyl)phenyl)methylidene)7methylN(2methylphenyl)3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxamide
(2E)2(4methoxy3((246trichlorophenoxy)methyl)benzylidene)7methylN(2methylphenyl)3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxamide
2(4METHOXY3((246TRICHLOROPHENOXY)METHYL)BENZYLIDENE)7METHYLN(2METHYLPHENYL)3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
512815213
CC1=CC=CC=C1NC(=O)C2=C(N=C3N(C2C4=CC=CC=C4)C(=O)C(=CC5=CC(=C(C=C5)OC)COC6=C(C=C(C=C6Cl)Cl)Cl)S3)C
COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)C=c1sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Nc1ccccc1C)C
InChI=1SC36H28Cl3N3O4Sc1209781228(20)4134(43)3121(2)403642(32(31)23105461123)35(44)30(4736)1622131429(453)24(1522)19463326(38)1725(37)1827(33)39h41832H19H213H3(H4143)b3016+
MFCD03467077
ZINC000008455121
ZINC000008455122
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