Vitas-M small molecule compound
methyl (9Z)-9-(2-hydroxy-3-methoxybenzylidene)-6a-methyl-10-oxo-6,6a,9,10-tetrahydro-11aH-[1]benzofuro[2,3-e]cyclopropa[d][1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL172890
SMILES COC(=O)C1C23C1(C)N=c1n(C3c3c(O2)cccc3)c(=O)/c(=C/c2cccc(c2O)OC)/s1
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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 C24H20N2O6S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O6S/c1-23-18(21(29)31-3)24(23)19(13-8-4-5-9-14(13)32-24)26-20(28)16(33-22(26)25-23)11-12-7-6-10-15(30-2)17(12)27/h4-11,18-19,27H,1-3H3/b16-11-InChIKey
XUTCDQQYZSBUMS-WJDWOHSUSA-NSynonyms
CC12C(C13C(C4=CC=CC=C4O3)N5C(=O)C(=CC6=C(C(=CC=C6)OC)O)SC5=N2)C(=O)OC
COC(=O)C1C23C1(C)N=c1n(C3c3c(O2)cccc3)c(=O)c(=Cc2cccc(c2O)OC)s1
InChI=1SC24H20N2O6Sc12318(21(29)313)24(23)19(13845914(13)3224)2620(28)16(3322(26)2523)1112761015(302)17(12)27h411181927H13H3b1611
methyl(9Z)9(2hydroxy3methoxybenzylidene)6amethyl10oxo66a910tetrahydro11aH(1)benzofuro(23e)cyclopropa(d)(13)thiazolo(32a)pyrimidine6carboxylate
MFCD02056481
ZINC000015931333
ZINC000245254035
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