Vitas-M small molecule compound
6-(4-chloro-3-nitrophenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169765
SMILES CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C18H14ClN5O3S MW 415.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClN5O3S/c1-2-28-18-21-17-15(22-23-18)11-5-3-4-6-13(11)20-16(27-17)10-7-8-12(19)14(9-10)24(25)26/h3-9,16,20H,2H2,1H3InChIKey
CVPBXSWNKJGGTK-UHFFFAOYSA-NSynonyms
6(4chloro3nitrophenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4CHLORO3NITROPHENYL)3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))N=N1
CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC18H14ClN5O3Sc122818211715(222318)11534613(11)2016(2717)107812(19)14(910)24(25)26h391620H2H21H3
MFCD01177678
ZINC000000688782
ZINC000000688783
ZINC00688783
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