Vitas-M small molecule compound
3-(butylsulfanyl)-6-(2-ethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979824
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccccc1OCC
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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 C22H24N4O2S MW 408.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O2S/c1-3-5-14-29-22-24-21-19(25-26-22)15-10-6-8-12-17(15)23-20(28-21)16-11-7-9-13-18(16)27-4-2/h6-13,20,23H,3-5,14H2,1-2H3InChIKey
MRHHGOXKQPWSBD-UHFFFAOYSA-NSynonyms
352688-14-33(butylsulfanyl)6(2ethoxyphenyl)67dihydro(124)triazino(56d)(31)benzoxazepine
352688143
3BUTYLSULFANYL6(2ETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4OCC)N=N1
InChI=1SC22H24N4O2Sc135142922242119(252622)1510681217(15)2320(2821)1611791318(16)2742h6132023H3514H212H3
MFCD01466126
ZINC000002083776
ZINC000002083777
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