Vitas-M small molecule compound
1-[6-(4-nitrophenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521121
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(cc1)[N+](=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 C21H17N5O4S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4S/c1-3-12-31-21-22-19-18(23-24-21)16-6-4-5-7-17(16)25(13(2)27)20(30-19)14-8-10-15(11-9-14)26(28)29/h3-11,20H,1,12H2,2H3InChIKey
FMKZXCFXTPFMPK-UHFFFAOYSA-NSynonyms
1(6(4nitrophenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4nitrophenyl)3prop2enylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
7ACETYL3(ALLYLSULFANYL)6(4NITROPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
C=CCSc1nnc2c(n1)OC(c1ccc(cc1)(N+)(=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)(N+)(=O)(O)
InChI=1SC21H17N5O4Sc13123121221918(232421)16645717(16)25(13(2)27)20(3019)1481015(11914)26(28)29h31120H112H22H3
MFCD02952070
ZINC000002113427
ZINC000002113430
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