Vitas-M small molecule compound
7-ethyl-2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK508038
SMILES CCC1CCc2c(C1)sc1c2c(=O)n(c(n1)SCc1ccc(cc1)[N+](=O)[O-])c1ccccc1
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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 C25H23N3O3S2 MW 477.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S2/c1-2-16-10-13-20-21(14-16)33-23-22(20)24(29)27(18-6-4-3-5-7-18)25(26-23)32-15-17-8-11-19(12-9-17)28(30)31/h3-9,11-12,16H,2,10,13-15H2,1H3InChIKey
MUJQZOPBLRSIJT-UHFFFAOYSA-NSynonyms
332412-55-2332412552
7ethyl2((4nitrobenzyl)sulfanyl)3phenyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7ethyl2((4nitrobenzyl)thio)3phenyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
7ethyl2((4nitrophenyl)methylsulfanyl)3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CCC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5
CCC1CCc2c(C1)sc1c2c(=O)n(c(n1)SCc1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC25H23N3O3S2c121610132021(1416)332322(20)24(29)27(186435718)25(2623)32151781119(12917)28(30)31h39111216H2101315H21H3
MFCD00321575
ZINC000002186682
ZINC000002186683
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