Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(6-nitro-1,3-benzodioxol-5-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520809
SMILES CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc2OCOc2cc1[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 C21H17N5O6S MW 467.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O6S/c1-3-33-21-22-19-18(23-24-21)12-6-4-5-7-14(12)25(11(2)27)20(32-19)13-8-16-17(31-10-30-16)9-15(13)26(28)29/h4-9,20H,3,10H2,1-2H3InChIKey
OCNZOGNJDMQRDX-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(6nitro13benzodioxol5yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(6NITRO13BENZODIOXOL5YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(ETHYLSULFANYL)6(6NITRO13BENZODIOXOL5YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)C)N=N1
CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC21H17N5O6Sc133321221918(232421)12645714(12)25(11(2)27)20(3219)1381617(31103016)915(13)26(28)29h4920H310H212H3
MFCD02071070
ZINC000002977752
ZINC000002977753
Check stock
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