Vitas-M small molecule compound
3-(hexylsulfanyl)-6,6-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326277
SMILES CCCCCCSc1nnc2c(n1)OC(C)(C)Nc1c2cccc1
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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 C18H24N4OS MW 344.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4OS/c1-4-5-6-9-12-24-17-19-16-15(21-22-17)13-10-7-8-11-14(13)20-18(2,3)23-16/h7-8,10-11,20H,4-6,9,12H2,1-3H3InChIKey
JFLRKXOFBHNXLJ-UHFFFAOYSA-NSynonyms
3(hexylsulfanyl)66dimethyl67dihydro(124)triazino(56d)(31)benzoxazepine
3HEXYLSULFANYL66DIMETHYL7H(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)(C)C)N=N1
InChI=1SC18H24N4OSc14569122417191615(212217)1310781114(13)2018(23)2316h78101120H46912H213H3
MFCD02071084
ZINC000002073881
ZINC02073881
ZINC2073881
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