Vitas-M small molecule compound
1-[6-(4-hydroxy-3-nitrophenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521137
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(c(c1)[N+](=O)[O-])O)N(c1c2cccc1)C(=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 C21H17N5O5S MW 451.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O5S/c1-3-10-32-21-22-19-18(23-24-21)14-6-4-5-7-15(14)25(12(2)27)20(31-19)13-8-9-17(28)16(11-13)26(29)30/h3-9,11,20,28H,1,10H2,2H3InChIKey
FKDXXHIBLIJDAI-UHFFFAOYSA-NSynonyms
1(6(4hydroxy3nitrophenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4hydroxy3nitrophenyl)3prop2enylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
C=CCSc1nnc2c(n1)OC(c1ccc(c(c1)(N+)(=O)(O))O)N(c1c2cccc1)C(=O)C
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=C(C=C4)O)(N+)(=O)(O)
InChI=1SC21H17N5O5Sc13103221221918(232421)14645715(14)25(12(2)27)20(3119)138917(28)16(1113)26(29)30h39112028H110H22H3
MFCD04230694
ZINC000034860077
ZINC000034860080
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