Vitas-M small molecule compound
6-[5-(3-chloro-2-methylphenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169915
SMILES CSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)c1cccc(c1C)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 C22H17ClN4O2S MW 436.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O2S/c1-12-13(7-5-8-15(12)23)17-10-11-18(28-17)20-24-16-9-4-3-6-14(16)19-21(29-20)25-22(30-2)27-26-19/h3-11,20,24H,1-2H3InChIKey
SNZAJUCWGJAHRK-UHFFFAOYSA-NSynonyms
354547-40-3354547403
6(5(3chloro2methylphenyl)furan2yl)3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5(3CHLORO2METHYLPHENYL)FURAN2YL)3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC1=C(C=CC=C1Cl)C2=CC=C(O2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SC
InChI=1SC22H17ClN4O2Sc11213(75815(12)23)17101118(2817)202416943614(16)1921(2920)2522(302)272619h3112024H12H3
MFCD01835625
ZINC000000694498
ZINC000000694500
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