Vitas-M small molecule compound
3-({(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK804880
SMILES [O-][N+](=O)c1ccc(cc1)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 C21H16N4O4S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O4S/c26-21-19-16-3-1-2-4-18(16)30-20(19)22-12-24(21)23-11-15-9-10-17(29-15)13-5-7-14(8-6-13)25(27)28/h5-12H,1-4H2/b23-11+InChIKey
ALXVFCIKWAZWMG-FOKLQQMPSA-NSynonyms
359816-49-2(E)3(((5(4nitrophenyl)furan2yl)methylene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
(O)(N+)(=O)c1ccc(cc1)c1ccc(o1)C=Nn1cnc2c(c1=O)c1CCCCc1s2
3(((E)(5(4nitrophenyl)furan2yl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(5(4nitrophenyl)furan2yl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
359816492
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(O4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC21H16N4O4Sc26211916312418(16)3020(19)221224(21)23111591017(2915)135714(8613)25(27)28h512H14H2b2311+
MFCD01133477
ZINC000001191477
ZINC1191473
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