Vitas-M small molecule compound
2-methylpropyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799115
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccco1)/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 C26H26N2O7S MW 510.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O7S/c1-14(2)13-34-25(31)22-15(3)27-26-28(24(30)21(36-26)12-18-7-6-10-33-18)23(22)17-8-9-19(35-16(4)29)20(11-17)32-5/h6-12,14,23H,13H2,1-5H3/b21-12+InChIKey
DROUJKDZBQBDLF-CIAFOILYSA-NSynonyms
2methylpropyl(2E)5(4(acetyloxy)3methoxyphenyl)2(furan2ylmethylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)5(4acetyloxy3methoxyphenyl)2(furan2ylmethylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=CO3)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(=Cc1ccco1)s2)C(=O)OCC(C)C
InChI=1SC26H26N2O7Sc114(2)133425(31)2215(3)272628(24(30)21(3626)121876103318)23(22)178919(3516(4)29)20(1117)325h6121423H13H215H3b2112+
MFCD03462285
ZINC000016700724
ZINC000016700727
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