Vitas-M small molecule compound
2-[3-(2,4-dinitrophenoxy)phenyl]-7-methyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK382658
SMILES CC1CCc2c(C1)sc1c2C(=O)NC(N1)c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[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 C23H20N4O6S MW 480.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O6S/c1-12-5-7-16-19(9-12)34-23-20(16)22(28)24-21(25-23)13-3-2-4-15(10-13)33-18-8-6-14(26(29)30)11-17(18)27(31)32/h2-4,6,8,10-12,21,25H,5,7,9H2,1H3,(H,24,28)InChIKey
GIERNEQTXVUWNK-UHFFFAOYSA-NSynonyms
2(3(24dinitrophenoxy)phenyl)7methyl235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
2(3(24dinitrophenoxy)phenyl)7methyl235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)OC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O)
CC1CCc2c(C1)sc1c2C(=O)NC(N1)c1cccc(c1)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC23H20N4O6Sc112571619(912)342320(16)22(28)2421(2523)1332415(1013)33188614(26(29)30)1117(18)27(31)32h246810122125H579H21H3(H2428)
MFCD03037657
ZINC000008874888
ZINC000008874894
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