Vitas-M small molecule compound
8-[(4-nitrobenzyl)sulfanyl]-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Catalog ID
STK557929
SMILES CC(c1nc2sc3c(c2c2c1CCCC2)ncnc3SCc1ccc(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 C23H22N4O2S2 MW 450.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O2S2/c1-13(2)19-17-6-4-3-5-16(17)18-20-21(31-22(18)26-19)23(25-12-24-20)30-11-14-7-9-15(10-8-14)27(28)29/h7-10,12-13H,3-6,11H2,1-2H3InChIKey
IAULCOIMERISIX-UHFFFAOYSA-NSynonyms
577962-43-7577962437
5isopropyl8((4nitrobenzyl)thio)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
8((4nitrobenzyl)sulfanyl)5(propan2yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CC(C)C1=C2CCCCC2=C3C4=C(C(=NC=N4)SCC5=CC=C(C=C5)(N+)(=O)(O))SC3=N1
CC(c1nc2sc3c(c2c2c1CCCC2)ncnc3SCc1ccc(cc1)(N+)(=O)(O))C
InChI=1SC23H22N4O2S2c113(2)1917643516(17)182021(3122(18)2619)23(25122420)3011147915(10814)27(28)29h7101213H3611H212H3
MFCD04028719
ZINC000002385118
ZINC02385118
ZINC2385118
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