Vitas-M small molecule compound
ethyl (2Z)-5-(3-methoxyphenyl)-7-methyl-2-[5-nitro-2-(pyrrolidin-1-yl)benzylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL506638
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)OC)c(=O)/c(=C/c1cc(ccc1N1CCCC1)[N+](=O)[O-])/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 C28H28N4O6S MW 548.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O6S/c1-4-38-27(34)24-17(2)29-28-31(25(24)18-8-7-9-21(15-18)37-3)26(33)23(39-28)16-19-14-20(32(35)36)10-11-22(19)30-12-5-6-13-30/h7-11,14-16,25H,4-6,12-13H2,1-3H3/b23-16-InChIKey
AWRIOHUIKAVLQQ-KQWNVCNZSA-NSynonyms
6176652
ethyl(2~(Z))5(3methoxyphenyl)7methyl2((5nitro2pyrrolidin1ylphenyl)methylidene)3oxo5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)5(3methoxyphenyl)7methyl2(5nitro2(pyrrolidin1yl)benzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H28N4O6Sc143827(34)2417(2)292831(25(24)1887921(1518)373)26(33)23(3928)16191420(32(35)36)101122(19)3012561330h711141625H461213H213H3b2316
MFCD31614372
ZINC000002797283
ZINC000002797285
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