Vitas-M small molecule compound
7-ethyl-2-(4-methoxy-3-nitrophenyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK382823
SMILES CCC1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)[N+](=O)[O-])OC)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 C19H21N3O4S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O4S/c1-3-10-4-6-12-15(8-10)27-19-16(12)18(23)20-17(21-19)11-5-7-14(26-2)13(9-11)22(24)25/h5,7,9-10,17,21H,3-4,6,8H2,1-2H3,(H,20,23)InChIKey
VDLOEIHCOXIVQR-UHFFFAOYSA-NSynonyms
7ethyl2(4methoxy3nitrophenyl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
7ethyl2(4methoxy3nitrophenyl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC)(N+)(=O)(O)
CCC1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)(N+)(=O)(O))OC)O
InChI=1SC19H21N3O4Sc1310461215(810)271916(12)18(23)2017(2119)115714(262)13(911)22(24)25h579101721H3468H212H3(H2023)
MFCD03037259
ZINC000004545486
ZINC000004545489
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