Vitas-M small molecule compound
8-(4-nitrobenzyl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
Catalog ID
STK628079
SMILES CC(c1nc2sc3c(c2c2c1CCC2)ncn(c3=O)Cc1ccc(cc1)[N+](=O)[O-])C
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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/c1-12(2)18-16-5-3-4-15(16)17-19-20(30-21(17)24-18)22(27)25(11-23-19)10-13-6-8-14(9-7-13)26(28)29/h6-9,11-12H,3-5,10H2,1-2H3InChIKey
NPUPGONVMMFGPY-UHFFFAOYSA-NSynonyms
929840-78-84isopropyl8(4nitrobenzyl)23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7(8H)one
8(4nitrobenzyl)4(propan2yl)23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7(8H)one
929840788
CC(C)C1=C2CCCC2=C3C4=C(C(=O)N(C=N4)CC5=CC=C(C=C5)(N+)(=O)(O))SC3=N1
CC(c1nc2sc3c(c2c2c1CCC2)ncn(c3=O)Cc1ccc(cc1)(N+)(=O)(O))C
InChI=1SC22H20N4O3Sc112(2)181653415(16)171920(3021(17)2418)22(27)25(112319)10136814(9713)26(28)29h691112H3510H212H3
MFCD09798311
ZINC000008993073
ZINC08993073
ZINC8993073
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