Vitas-M small molecule compound
3-(pentylsulfanyl)-6-[(E)-2-(thiophen-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169847
SMILES CCCCCSc1nnc2c(n1)OC(/C=C/c1cccs1)Nc1c2cccc1
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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 C21H22N4OS2 MW 410.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS2/c1-2-3-6-13-28-21-23-20-19(24-25-21)16-9-4-5-10-17(16)22-18(26-20)12-11-15-8-7-14-27-15/h4-5,7-12,14,18,22H,2-3,6,13H2,1H3/b12-11+InChIKey
LQTNEDVDHNEAQW-VAWYXSNFSA-NSynonyms
3(pentylsulfanyl)6((E)2(thiophen2yl)ethenyl)67dihydro(124)triazino(56d)(31)benzoxazepine
3PENTYLSULFANYL6((E)2THIOPHEN2YLETHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C=CC4=CC=CS4)N=N1
CCCCCSc1nnc2c(n1)OC(C=Cc1cccs1)Nc1c2cccc1
InChI=1SC21H22N4OS2c1236132821232019(242521)169451017(16)2218(2620)12111587142715h45712141822H23613H21H3b1211+
MFCD01647912
ZINC000002742849
ZINC000002742851
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