Vitas-M small molecule compound
6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL445114
SMILES CCCSc1nnc2c(n1)OC(/C=C/c1ccc(o1)[N+](=O)[O-])Nc1c2cccc1
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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 C19H17N5O4S MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O4S/c1-2-11-29-19-21-18-17(22-23-19)13-5-3-4-6-14(13)20-15(28-18)9-7-12-8-10-16(27-12)24(25)26/h3-10,15,20H,2,11H2,1H3/b9-7+InChIKey
GVIRNCIBRXILOL-VQHVLOKHSA-NSynonyms
6((E)2(5nitrofuran2yl)ethenyl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6((E)2(5NITROFURAN2YL)ETHENYL)3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C=CC4=CC=C(O4)(N+)(=O)(O))N=N1
CCCSc1nnc2c(n1)OC(C=Cc1ccc(o1)(N+)(=O)(O))Nc1c2cccc1
InChI=1SC19H17N5O4Sc12112919211817(222319)13534614(13)2015(2818)971281016(2712)24(25)26h3101520H211H21H3b97+
MFCD01470432
ZINC000002911450
ZINC000002911455
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