Vitas-M small molecule compound
6-(4-nitrophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL445117
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)[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 C19H17N5O3S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O3S/c1-2-11-28-19-21-18-16(22-23-19)14-5-3-4-6-15(14)20-17(27-18)12-7-9-13(10-8-12)24(25)26/h3-10,17,20H,2,11H2,1H3InChIKey
VZRSDHVPWNNCTF-UHFFFAOYSA-NSynonyms
6(4nitrophenyl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4NITROPHENYL)3(PROPYLTHIO)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4NITROPHENYL)3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)(N+)(=O)(O))N=N1
CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H17N5O3Sc12112819211816(222319)14534615(14)2017(2718)127913(10812)24(25)26h3101720H211H21H3
MFCD01018940
ZINC000002912490
ZINC000002912491
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