Vitas-M small molecule compound
6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(prop-2-en-1-ylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL482836
SMILES C=CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1c(C)nn(c1Cl)c1ccccc1
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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 C23H19ClN6OS MW 462.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN6OS/c1-3-13-32-23-26-22-19(27-28-23)16-11-7-8-12-17(16)25-21(31-22)18-14(2)29-30(20(18)24)15-9-5-4-6-10-15/h3-12,21,25H,1,13H2,2H3InChIKey
GCNPVFFCXSSQBL-UHFFFAOYSA-NSynonyms
6(5chloro3methyl1phenyl1Hpyrazol4yl)3(prop2en1ylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5CHLORO3METHYL1PHENYLPYRAZOL4YL)3PROP2ENYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC1=NN(C(=C1C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)Cl)C5=CC=CC=C5
InChI=1SC23H19ClN6OSc13133223262219(272823)1611781217(16)2521(3122)1814(2)2930(20(18)24)1595461015h3122125H113H22H3
MFCD01836990
ZINC000003772516
ZINC000003772517
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