Vitas-M small molecule compound
ethyl (2Z)-2-[5-methoxy-2-(prop-2-yn-1-yloxy)benzylidene]-7-methyl-5-(4-methyl-3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK523341
SMILES C#CCOc1ccc(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)[N+](=O)[O-])C)C(=O)OCC)C)OC
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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 C28H25N3O7S MW 547.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O7S/c1-6-12-38-22-11-10-20(36-5)13-19(22)15-23-26(32)30-25(18-9-8-16(3)21(14-18)31(34)35)24(27(33)37-7-2)17(4)29-28(30)39-23/h1,8-11,13-15,25H,7,12H2,2-5H3/b23-15-InChIKey
DYCSHJHQZQVBGD-HAHDFKILSA-NSynonyms
C#CCOc1ccc(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)(N+)(=O)(O))C)C(=O)OCC)C)OC
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)C)(N+)(=O)(O))C(=O)C(=CC4=C(C=CC(=C4)OC)OCC#C)S2)C
ethyl(2Z)2((5methoxy2prop2ynoxyphenyl)methylidene)7methyl5(4methyl3nitrophenyl)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(5methoxy2(prop2yn1yloxy)benzylidene)7methyl5(4methyl3nitrophenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H25N3O7Sc16123822111020(365)1319(22)152326(32)3025(189816(3)21(1418)31(34)35)24(27(33)3772)17(4)2928(30)3923h1811131525H712H225H3b2315
MFCD18157794
ZINC000102264627
ZINC000102264636
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