Vitas-M small molecule compound
3-{[(E)-(4-methoxy-3-nitrophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK804878
SMILES COc1ccc(cc1[N+](=O)[O-])/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 C18H16N4O4S MW 384.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4S/c1-26-14-7-6-11(8-13(14)22(24)25)9-20-21-10-19-17-16(18(21)23)12-4-2-3-5-15(12)27-17/h6-10H,2-5H2,1H3/b20-9+InChIKey
AAAQFKAAHARTNN-AWQFTUOYSA-NSynonyms
359816-43-6(E)3((4methoxy3nitrobenzylidene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(((E)(4methoxy3nitrophenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(4methoxy3nitrophenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
359816436
COC1=C(C=C(C=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC18H16N4O4Sc126147611(813(14)22(24)25)9202110191716(18(21)23)12423515(12)2717h610H25H21H3b209+
MFCD02629746
ZINC000001188119
ZINC1188117
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