Vitas-M small molecule compound
2-methylpropyl (2E)-5-[4-(acetyloxy)-3-ethoxyphenyl]-2-(4-ethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799373
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(cc1)OCC)/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 C31H34N2O7S MW 578.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O7S/c1-7-37-23-12-9-21(10-13-23)15-26-29(35)33-28(22-11-14-24(40-20(6)34)25(16-22)38-8-2)27(19(5)32-31(33)41-26)30(36)39-17-18(3)4/h9-16,18,28H,7-8,17H2,1-6H3/b26-15+InChIKey
NMYYIKAFRNBHDQ-CVKSISIWSA-NSynonyms
2methylpropyl(2E)5(4(acetyloxy)3ethoxyphenyl)2(4ethoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2METHYLPROPYL(2E)5(4ACETYLOXY3ETHOXYPHENYL)2((4ETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC(C)C)C4=CC(=C(C=C4)OC(=O)C)OCC
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)OCC)s2)C(=O)OCC(C)C
InChI=1SC31H34N2O7Sc17372312921(101323)152629(35)3328(22111424(4020(6)34)25(1622)3882)27(19(5)3231(33)4126)30(36)391718(3)4h9161828H7817H216H3b2615+
MFCD03462413
ZINC000097957675
ZINC000097957676
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.