Vitas-M small molecule compound
3-(pentylsulfanyl)-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979950
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(OC)c(cc1OC)OC
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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 C24H28N4O4S MW 468.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O4S/c1-5-6-9-12-33-24-26-23-21(27-28-24)15-10-7-8-11-17(15)25-22(32-23)16-13-19(30-3)20(31-4)14-18(16)29-2/h7-8,10-11,13-14,22,25H,5-6,9,12H2,1-4H3InChIKey
MEXNWVFEPLVBCY-UHFFFAOYSA-NSynonyms
442642-06-03(pentylsulfanyl)6(245trimethoxyphenyl)67dihydro(124)triazino(56d)(31)benzoxazepine
3pentylsulfanyl6(245trimethoxyphenyl)67dihydro(124)triazino(56d)(31)benzoxazepine
442642060
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4OC)OC)OC)N=N1
InChI=1SC24H28N4O4Sc1569123324262321(272824)1510781117(15)2522(3223)161319(303)20(314)1418(16)292h78101113142225H56912H214H3
MFCD01919581
ZINC000002743094
ZINC000002743095
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