Vitas-M small molecule compound
methyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(4-butoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798094
SMILES CCCCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OC)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 C29H30N2O7S MW 550.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O7S/c1-6-7-14-37-21-11-8-19(9-12-21)15-24-27(33)31-26(25(28(34)36-5)17(2)30-29(31)39-24)20-10-13-22(38-18(3)32)23(16-20)35-4/h8-13,15-16,26H,6-7,14H2,1-5H3/b24-15+InChIKey
BHNWLALMNLONQE-BUVRLJJBSA-NSynonyms
CCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC(=C(C=C4)OC(=O)C)OC
CCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OC)C
InChI=1SC29H30N2O7Sc16714372111819(91221)152427(33)3126(25(28(34)365)17(2)3029(31)3924)20101322(3818(3)32)23(1620)354h813151626H6714H215H3b2415+
methyl(2E)5(4(acetyloxy)3methoxyphenyl)2(4butoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)5(4ACETYLOXY3METHOXYPHENYL)2((4BUTOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03417331
ZINC000100838227
ZINC000100838228
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