Vitas-M small molecule compound

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

Catalog ID
STL169866
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(c(c1)OCC)OCc1ccccc1

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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 C29H30N4O3S MW 514.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3S/c1-3-5-17-37-29-31-28-26(32-33-29)22-13-9-10-14-23(22)30-27(36-28)21-15-16-24(25(18-21)34-4-2)35-19-20-11-7-6-8-12-20/h6-16,18,27,30H,3-5,17,19H2,1-2H3
InChIKey
YRINNGJNAKMCPV-UHFFFAOYSA-N
Synonyms
353767-34-7
353767347
3BUTYLSULFANYL6(3ETHOXY4PHENYLMETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4(benzyloxy)3ethoxyphenyl)3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC)N=N1
InChI=1SC29H30N4O3Sc135173729312826(323329)22139101423(22)3027(3628)21151624(25(1821)3442)351920117681220h616182730H351719H212H3
MFCD01834939
ZINC000002746035
ZINC000002746036

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Available files

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