Vitas-M small molecule compound
6-(anthracen-9-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169812
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1c2ccccc2cc2c1cccc2
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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 C29H26N4OS MW 478.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4OS/c1-2-3-10-17-35-29-31-28-26(32-33-29)23-15-8-9-16-24(23)30-27(34-28)25-21-13-6-4-11-19(21)18-20-12-5-7-14-22(20)25/h4-9,11-16,18,27,30H,2-3,10,17H2,1H3InChIKey
FCDBCWYVZHRJFP-UHFFFAOYSA-NSynonyms
675190-68-86(anthracen9yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
675190688
6anthracen9yl3pentylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C5C=CC=CC5=CC6=CC=CC=C64)N=N1
InChI=1SC29H26N4OSc12310173529312826(323329)2315891624(23)3027(3428)252113641119(21)182012571422(20)25h491116182730H231017H21H3
MFCD02053592
ZINC000002742089
ZINC000002742090
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