Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[4-(methoxycarbonyl)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK804751
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1ccc(cc1)C(=O)OC)/s2
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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 C26H22N2O7S MW 506.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O7S/c1-4-33-25(31)21-14(2)27-26-28(22(21)17-9-10-18-19(12-17)35-13-34-18)23(29)20(36-26)11-15-5-7-16(8-6-15)24(30)32-3/h5-12,22H,4,13H2,1-3H3/b20-11-InChIKey
UMTTZIGMGHGZIC-JAIQZWGSSA-NSynonyms
5833-49-8(E)ethyl5(benzo(d)(13)dioxol5yl)2(4(methoxycarbonyl)benzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
5833498
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(cc1)C(=O)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(C=C5)C(=O)OC)S2)C
ETHYL(2Z)5(13BENZODIOXOL5YL)2((4METHOXYCARBONYLPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(13benzodioxol5yl)2(4(methoxycarbonyl)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC26H22N2O7Sc143325(31)2114(2)272628(22(21)179101819(1217)35133418)23(29)20(3626)11155716(8615)24(30)323h51222H413H213H3b2011
MFCD02109455
ZINC000001187633
ZINC000001187637
Check stock
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Check stock on Vitas-MAvailable files
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