Vitas-M small molecule compound

6-[2-(benzyloxy)phenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STL169903
SMILES CCCCCSc1nnc2c(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 C28H28N4O2S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O2S/c1-2-3-11-18-35-28-30-27-25(31-32-28)21-14-7-9-16-23(21)29-26(34-27)22-15-8-10-17-24(22)33-19-20-12-5-4-6-13-20/h4-10,12-17,26,29H,2-3,11,18-19H2,1H3
InChIKey
LQQYDDDWBZYWFQ-UHFFFAOYSA-N
Synonyms

3PENTYLSULFANYL6(2PHENYLMETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(2(benzyloxy)phenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4OCC5=CC=CC=C5)N=N1
InChI=1SC28H28N4O2Sc12311183528302725(313228)2114791623(21)2926(3427)22158101724(22)331920125461320h41012172629H23111819H21H3
MFCD01920958
ZINC000002085786
ZINC000002085787

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Available files

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