Vitas-M small molecule compound
3-({(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL296537
SMILES COc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/n1cnc2c(c1=O)c1CCCCc1s2
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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 C22H18N4O5S MW 450.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5S/c1-30-13-6-8-15(17(10-13)26(28)29)18-9-7-14(31-18)11-24-25-12-23-21-20(22(25)27)16-4-2-3-5-19(16)32-21/h6-12H,2-5H2,1H3/b24-11+InChIKey
BNVHEYIMKGULGG-BHGWPJFGSA-NSynonyms
357176-15-9(E)3(((5(4methoxy2nitrophenyl)furan2yl)methylene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(((E)(5(4methoxy2nitrophenyl)furan2yl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(5(4methoxy2nitrophenyl)furan2yl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
357176159
COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C=NC4=C(C3=O)C5=C(S4)CCCC5)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC22H18N4O5Sc130136815(17(1013)26(28)29)189714(3118)11242512232120(22(25)27)16423519(16)3221h612H25H21H3b2411+
MFCD01133427
ZINC000009332060
ZINC2309734
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