Vitas-M small molecule compound

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

Catalog ID
STK979921
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(c(c1)OC)OCC

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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 C24H28N4O3S MW 452.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O3S/c1-4-6-9-14-32-24-26-23-21(27-28-24)17-10-7-8-11-18(17)25-22(31-23)16-12-13-19(30-5-2)20(15-16)29-3/h7-8,10-13,15,22,25H,4-6,9,14H2,1-3H3
InChIKey
MKXUXMHUFJODIR-UHFFFAOYSA-N
Synonyms
352703-71-0
352703710
6(4ethoxy3methoxyphenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4ETHOXY3METHOXYPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)OCC)OC)N=N1
InChI=1SC24H28N4O3Sc1469143224262321(272824)1710781118(17)2522(3123)16121319(3052)20(1516)293h781013152225H46914H213H3
MFCD01648080
ZINC000002745180
ZINC000002745181

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Available files

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