Vitas-M small molecule compound
2-methylpropyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799083
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cc(OC)c(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 C31H34N2O9S MW 610.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O9S/c1-16(2)15-41-30(36)26-17(3)32-31-33(27(26)20-9-10-21(42-18(4)34)22(14-20)37-5)29(35)25(43-31)13-19-11-23(38-6)28(40-8)24(12-19)39-7/h9-14,16,27H,15H2,1-8H3/b25-13-InChIKey
NSMVCDHKAXARCM-MXAYSNPKSA-NSynonyms
2methylpropyl(2Z)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo2(345trimethoxybenzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2METHYLPROPYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)7METHYL3OXO2((345TRIMETHOXYPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)SC2=N1)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OCC(C)C
COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1cc(OC)c(c(c1)OC)OC)s2)C(=O)OCC(C)C
InChI=1SC31H34N2O9Sc116(2)154130(36)2617(3)323133(27(26)2091021(4218(4)34)22(1420)375)29(35)25(4331)13191123(386)28(408)24(1219)397h9141627H15H218H3b2513
MFCD03462257
ZINC000097946245
ZINC000097946246
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.