Vitas-M small molecule compound

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

Catalog ID
STK326313
SMILES CSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)OC1CCCC1

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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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-29-22-24-21-19(25-26-22)17-8-4-5-9-18(17)23-20(28-21)14-10-12-16(13-11-14)27-15-6-2-3-7-15/h4-5,8-13,15,20,23H,2-3,6-7H2,1H3
InChIKey
GCNASCQLHUHYGM-UHFFFAOYSA-N
Synonyms

6(4(cyclopentyloxy)phenyl)3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4CYCLOPENTYLOXYPHENYL)3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)OC5CCCC5)N=N1
InChI=1SC22H22N4O2Sc12922242119(252622)17845918(17)2320(2821)14101216(131114)2715623715h45813152023H2367H21H3
MFCD02951882
ZINC000002095164
ZINC000002095166

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Available files

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