Vitas-M small molecule compound
3-(hexylsulfanyl)-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326283
SMILES CCCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccsc1
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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 C20H22N4OS2 MW 398.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4OS2/c1-2-3-4-7-11-27-20-22-19-17(23-24-20)15-8-5-6-9-16(15)21-18(25-19)14-10-12-26-13-14/h5-6,8-10,12-13,18,21H,2-4,7,11H2,1H3InChIKey
ZJDJTDXCRBZYQG-UHFFFAOYSA-NSynonyms
3(hexylsulfanyl)6(thiophen3yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3(HEXYLTHIO)6THIEN3YL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
3HEXYLSULFANYL6THIOPHEN3YL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CSC=C4)N=N1
HEXYL6(3THIENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLSULFIDE
InChI=1SC20H22N4OS2c12347112720221917(232420)15856916(15)2118(2519)141012261314h5681012131821H24711H21H3
MFCD01837024
ZINC000002073678
ZINC000002073679
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