Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-7-ethyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK386112
SMILES CCN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C17H17ClN4O3S MW 392.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O3S/c1-2-21-6-5-10-13(8-21)26-17-14(10)16(23)19-15(20-17)9-3-4-11(18)12(7-9)22(24)25/h3-4,7,15,20H,2,5-6,8H2,1H3,(H,19,23)InChIKey
PRPUKCAKNJZLRM-UHFFFAOYSA-NSynonyms
2(4chloro3nitrophenyl)7ethyl123568hexahydropyrido(23)thieno(24d)pyrimidin4one
2(4chloro3nitrophenyl)7ethyl125678hexahydropyrido(4345)thieno(23d)pyrimidin4ol
CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
CCN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)(N+)(=O)(O))Cl)O
InChI=1SC17H17ClN4O3Sc1221651013(821)261714(10)16(23)1915(2017)93411(18)12(79)22(24)25h3471520H2568H21H3(H1923)
MFCD04966702
ZINC000004556319
ZINC000004556320
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