Vitas-M small molecule compound
2-(4-methoxy-3-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK382119
SMILES COc1ccc(cc1[N+](=O)[O-])C1NC(=O)c2c(N1)sc1c2CCC(C1)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 C18H19N3O4S MW 373.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O4S/c1-9-3-5-11-14(7-9)26-18-15(11)17(22)19-16(20-18)10-4-6-13(25-2)12(8-10)21(23)24/h4,6,8-9,16,20H,3,5,7H2,1-2H3,(H,19,22)InChIKey
KBDPCYOLXCDKME-UHFFFAOYSA-NSynonyms
2(4methoxy3nitrophenyl)7methyl235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
2(4methoxy3nitrophenyl)7methyl235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C1NC(=O)c2c(N1)sc1c2CCC(C1)C
InChI=1SC18H19N3O4Sc19351114(79)261815(11)17(22)1916(2018)104613(252)12(810)21(23)24h46891620H357H212H3(H1922)
MFCD02915431
ZINC000017086064
ZINC000017086067
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