Vitas-M small molecule compound
2-(6-nitro-1,3-benzodioxol-5-yl)-7-(propan-2-yl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383376
SMILES CC(N1CCc2c(C1)sc1c2C(=NC(N1)c1cc2OCOc2cc1[N+](=O)[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 C19H20N4O5S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O5S/c1-9(2)22-4-3-10-15(7-22)29-19-16(10)18(24)20-17(21-19)11-5-13-14(28-8-27-13)6-12(11)23(25)26/h5-6,9,17,21H,3-4,7-8H2,1-2H3,(H,20,24)InChIKey
YAQFDGRMMIEVQF-UHFFFAOYSA-NSynonyms
2(6nitro13benzodioxol5yl)7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin4ol
2(6nitro13benzodioxol5yl)7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin4one
CC(C)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC5=C(C=C4(N+)(=O)(O))OCO5
CC(N1CCc2c(C1)sc1c2C(=NC(N1)c1cc2OCOc2cc1(N+)(=O)(O))O)C
InChI=1SC19H20N4O5Sc19(2)22431015(722)291916(10)18(24)2017(2119)1151314(2882713)612(11)23(25)26h5691721H3478H212H3(H2024)
MFCD03835889
ZINC000004554047
ZINC000004554049
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