Vitas-M small molecule compound
propan-2-yl (2E)-2-(4-methoxybenzylidene)-5-(3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL375746
SMILES COc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccc(c1)OC)C(=O)OC(C)C)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 C26H26N2O5S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O5S/c1-15(2)33-25(30)22-16(3)27-26-28(23(22)18-7-6-8-20(14-18)32-5)24(29)21(34-26)13-17-9-11-19(31-4)12-10-17/h6-15,23H,1-5H3/b21-13+InChIKey
JKMPAIFTMPRASM-FYJGNVAPSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OC)SC2=N1)C4=CC(=CC=C4)OC)C(=O)OC(C)C
COc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccc(c1)OC)C(=O)OC(C)C)C
InChI=1SC26H26N2O5Sc115(2)3325(30)2216(3)272628(23(22)1876820(1418)325)24(29)21(3426)131791119(314)121017h61523H15H3b2113+
ISOPROPYL2(4METHOXYBENZYLIDENE)5(3METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03699137
propan2yl(2E)2(4methoxybenzylidene)5(3methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
propan2yl(2E)5(3methoxyphenyl)2((4methoxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000008438126
ZINC000008438128
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