Vitas-M small molecule compound
3-{[(E)-{4-[(5-nitropyridin-2-yl)oxy]phenyl}methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL358515
SMILES [O-][N+](=O)c1ccc(nc1)Oc1ccc(cc1)/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 C22H17N5O4S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O4S/c28-22-20-17-3-1-2-4-18(17)32-21(20)24-13-26(22)25-11-14-5-8-16(9-6-14)31-19-10-7-15(12-23-19)27(29)30/h5-13H,1-4H2/b25-11+InChIKey
RMYWTDUBZOUDAD-OPEKNORGSA-NSynonyms
(O)(N+)(=O)c1ccc(nc1)Oc1ccc(cc1)C=Nn1cnc2c(c1=O)c1CCCCc1s2
3(((E)(4((5nitropyridin2yl)oxy)phenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(4(5nitropyridin2yl)oxyphenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(C=C4)OC5=NC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H17N5O4Sc28222017312418(17)3221(20)241326(22)2511145816(9614)311910715(122319)27(29)30h513H14H2b2511+
MFCD05134543
ZINC000009234263
ZINC34782523
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