Vitas-M small molecule compound
ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-2-{3-[2-(4-methylphenoxy)ethoxy]benzylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK096681
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1cccc(c1)OCCOc1ccc(cc1)C)/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 C33H32N2O6S MW 584.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O6S/c1-5-39-32(37)29-22(3)34-33-35(30(29)24-11-15-25(38-4)16-12-24)31(36)28(42-33)20-23-7-6-8-27(19-23)41-18-17-40-26-13-9-21(2)10-14-26/h6-16,19-20,30H,5,17-18H2,1-4H3/b28-20+InChIKey
CKKMXUXHPUSIBR-VFCFBJKWSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cccc(c1)OCCOc1ccc(cc1)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC(=CC=C4)OCCOC5=CC=C(C=C5)C)S2)C
ethyl(2E)5(4methoxyphenyl)7methyl2((3(2(4methylphenoxy)ethoxy)phenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4METHOXYPHENYL)7METHYL2(3(2(4METHYLPHENOXY)ETHOXY)BENZYLIDENE)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC33H32N2O6Sc153932(37)2922(3)343335(30(29)24111525(384)161224)31(36)28(4233)202376827(1923)411817402613921(2)101426h616192030H51718H214H3b2820+
MFCD02017725
STK096681
ZINC000100592328
ZINC000100592334
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