Vitas-M small molecule compound
7-benzyl-2-(3-nitrophenyl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK381501
SMILES O=C1NC(Nc2c1c1CCN(Cc1s2)Cc1ccccc1)c1cccc(c1)[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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c27-21-19-17-9-10-25(12-14-5-2-1-3-6-14)13-18(17)30-22(19)24-20(23-21)15-7-4-8-16(11-15)26(28)29/h1-8,11,20,24H,9-10,12-13H2,(H,23,27)InChIKey
WDCOULCZNMYDQR-UHFFFAOYSA-NSynonyms
7benzyl2(3nitrophenyl)123568hexahydropyrido(23)thieno(24d)pyrimidin4one
7benzyl2(3nitrophenyl)235678hexahydropyrido(4345)thieno(23d)pyrimidin4(1H)one
C1CN(CC2=C1C3=C(S2)NC(NC3=O)C4=CC(=CC=C4)(N+)(=O)(O))CC5=CC=CC=C5
InChI=1SC22H20N4O3Sc2721191791025(12145213614)1318(17)3022(19)2420(2321)1574816(1115)26(28)29h18112024H9101213H2(H2327)
MFCD02604074
O=C1NC(Nc2c1c1CCN(Cc1s2)Cc1ccccc1)c1cccc(c1)(N+)(=O)(O)
ZINC000022633527
ZINC000022633531
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