Vitas-M small molecule compound
3-{[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK698739
SMILES CCOc1cc(/C=N/n2cnc3c(c2=O)c2CCCCc2s3)cc(c1O)[N+](=O)[O-]
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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 C19H18N4O5S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O5S/c1-2-28-14-8-11(7-13(17(14)24)23(26)27)9-21-22-10-20-18-16(19(22)25)12-5-3-4-6-15(12)29-18/h7-10,24H,2-6H2,1H3/b21-9+InChIKey
ISHFFRMECJGYAZ-ZVBGSRNCSA-NSynonyms
380473-57-4(E)3((3ethoxy4hydroxy5nitrobenzylidene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(((E)(3ethoxy4hydroxy5nitrophenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
380473574
CCOc1cc(C=Nn2cnc3c(c2=O)c2CCCCc2s3)cc(c1O)(N+)(=O)(O)
MFCD02629760
ZINC000001184552
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