Vitas-M small molecule compound
3-(pentylsulfanyl)-6-(3-phenoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326638
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cccc(c1)Oc1ccccc1
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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/c1-2-3-9-17-34-27-29-26-24(30-31-27)22-15-7-8-16-23(22)28-25(33-26)19-11-10-14-21(18-19)32-20-12-5-4-6-13-20/h4-8,10-16,18,25,28H,2-3,9,17H2,1H3InChIKey
DKVBDJBLGXSRSI-UHFFFAOYSA-NSynonyms
3(pentylsulfanyl)6(3phenoxyphenyl)67dihydro(124)triazino(56d)(31)benzoxazepine
3PENTYLSULFANYL6(3PHENOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)OC5=CC=CC=C5)N=N1
InChI=1SC27H26N4O2Sc1239173427292624(303127)2215781623(22)2825(3326)1911101421(1819)3220125461320h481016182528H23917H21H3
MFCD01929877
ZINC000002073807
ZINC000002073808
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