Vitas-M small molecule compound
6-(3-nitrophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979895
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cccc(c1)[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/c1-2-3-6-12-30-21-23-20-18(24-25-21)16-10-4-5-11-17(16)22-19(29-20)14-8-7-9-15(13-14)26(27)28/h4-5,7-11,13,19,22H,2-3,6,12H2,1H3InChIKey
DCVMLAITSUBDMJ-UHFFFAOYSA-NSynonyms
353472-18-1353472181
6(3nitrophenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(3NITROPHENYL)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)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H21N5O3Sc1236123021232018(242521)1610451117(16)2219(2920)1487915(1314)26(27)28h45711131922H23612H21H3
MFCD01647717
ZINC000002083880
ZINC000002083881
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