Vitas-M small molecule compound
7-benzyl-2-(4-methoxy-3-nitrophenyl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK382122
SMILES COc1ccc(cc1[N+](=O)[O-])C1NC(=O)c2c(N1)sc1c2CCN(C1)Cc1ccccc1
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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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-31-18-8-7-15(11-17(18)27(29)30)21-24-22(28)20-16-9-10-26(12-14-5-3-2-4-6-14)13-19(16)32-23(20)25-21/h2-8,11,21,25H,9-10,12-13H2,1H3,(H,24,28)InChIKey
OQCBDXCYMZRRAE-UHFFFAOYSA-NSynonyms
7benzyl2(4methoxy3nitrophenyl)123568hexahydropyrido(23)thieno(24d)pyrimidin4one
7benzyl2(4methoxy3nitrophenyl)235678hexahydropyrido(4345)thieno(23d)pyrimidin4(1H)one
COC1=C(C=C(C=C1)C2NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C1NC(=O)c2c(N1)sc1c2CCN(C1)Cc1ccccc1
InChI=1SC23H22N4O4Sc131188715(1117(18)27(29)30)212422(28)201691026(12145324614)1319(16)3223(20)2521h28112125H9101213H21H3(H2428)
MFCD02915434
ZINC000022633849
ZINC000022633852
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