Vitas-M small molecule compound
ethyl (2E)-5-(3-methoxyphenyl)-7-methyl-2-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL506660
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)OC)c(=O)/c(=C\c1cccn1c1ccc(cc1)[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 C28H24N4O6S MW 544.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O6S/c1-4-38-27(34)24-17(2)29-28-31(25(24)18-7-5-9-22(15-18)37-3)26(33)23(39-28)16-21-8-6-14-30(21)19-10-12-20(13-11-19)32(35)36/h5-16,25H,4H2,1-3H3/b23-16+InChIKey
TYRUOLJDDBVFKR-XQNSMLJCSA-NSynonyms
21169304
ethyl(2~(E))5(3methoxyphenyl)7methyl2((1(4nitrophenyl)pyrrol2yl)methylidene)3oxo5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(3METHOXYPHENYL)7METHYL2((1(4NITROPHENYL)1HPYRROL2YL)METHYLENE)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)5(3methoxyphenyl)7methyl2((1(4nitrophenyl)1Hpyrrol2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H24N4O6Sc143827(34)2417(2)292831(25(24)1875922(1518)373)26(33)23(3928)1621861430(21)19101220(131119)32(35)36h51625H4H213H3b2316+
MFCD04083307
ZINC000100747378
ZINC000100747381
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