Vitas-M small molecule compound
6-(2-nitrophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979894
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccccc1[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 C21H21N5O3S MW 423.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S/c1-2-3-8-13-30-21-23-20-18(24-25-21)14-9-4-6-11-16(14)22-19(29-20)15-10-5-7-12-17(15)26(27)28/h4-7,9-12,19,22H,2-3,8,13H2,1H3InChIKey
VTILTHBQWJOEIA-UHFFFAOYSA-NSynonyms
352688-75-6352688756
6(2nitrophenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2NITROPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4(N+)(=O)(O))N=N1
CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccccc1(N+)(=O)(O)
InChI=1SC21H21N5O3Sc1238133021232018(242521)149461116(14)2219(2920)1510571217(15)26(27)28h479121922H23813H21H3
MFCD01647695
ZINC000002741756
ZINC000002741757
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