Vitas-M small molecule compound
6-[2-(benzyloxy)phenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169904
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccccc1OCc1ccccc1
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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 C27H26N4O2S MW 470.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O2S/c1-2-3-17-34-27-29-26-24(30-31-27)20-13-7-9-15-22(20)28-25(33-26)21-14-8-10-16-23(21)32-18-19-11-5-4-6-12-19/h4-16,25,28H,2-3,17-18H2,1H3InChIKey
OSGSXVNSXILOIQ-UHFFFAOYSA-NSynonyms
3BUTYLSULFANYL6(2PHENYLMETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(2(benzyloxy)phenyl)3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4OCC5=CC=CC=C5)N=N1
InChI=1SC27H26N4O2Sc123173427292624(303127)2013791522(20)2825(3326)21148101623(21)321819115461219h4162528H231718H21H3
MFCD01920837
ZINC000002085615
ZINC000002085616
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