Vitas-M small molecule compound
2-methylpropyl (2Z)-5-[4-(acetyloxy)-3-ethoxyphenyl]-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK810099
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(c(c1)OC)OC)/s2)C(=O)OCC(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 C31H34N2O8S MW 594.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O8S/c1-8-39-25-15-21(10-12-23(25)41-19(5)34)28-27(30(36)40-16-17(2)3)18(4)32-31-33(28)29(35)26(42-31)14-20-9-11-22(37-6)24(13-20)38-7/h9-15,17,28H,8,16H2,1-7H3/b26-14-InChIKey
RGVXILBFEFBEJB-WGARJPEWSA-NSynonyms
2methylpropyl(2Z)5(4(acetyloxy)3ethoxyphenyl)2(34dimethoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2METHYLPROPYL(2Z)5(4ACETYLOXY3ETHOXYPHENYL)2((34DIMETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=C(C=C4)OC)OC)S3)C)C(=O)OCC(C)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(c(c1)OC)OC)s2)C(=O)OCC(C)C
InChI=1SC31H34N2O8Sc1839251521(101223(25)4119(5)34)2827(30(36)401617(2)3)18(4)323133(28)29(35)26(4231)142091122(376)24(1320)387h9151728H816H217H3b2614
MFCD03462469
ZINC000002672230
ZINC000002672232
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.