Vitas-M small molecule compound
6-[(E)-2-(furan-2-yl)ethenyl]-3-(prop-2-en-1-ylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL482835
SMILES C=CCSc1nnc2c(n1)OC(/C=C/c1ccco1)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 C19H16N4O2S MW 364.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O2S/c1-2-12-26-19-21-18-17(22-23-19)14-7-3-4-8-15(14)20-16(25-18)10-9-13-6-5-11-24-13/h2-11,16,20H,1,12H2/b10-9+InChIKey
LBDCWCIWBUGDLC-MDZDMXLPSA-NSynonyms
6((E)2(furan2yl)ethenyl)3(prop2en1ylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6((E)2(FURAN2YL)ETHENYL)3PROP2ENYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
C=CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C=CC4=CC=CO4)N=N1
C=CCSc1nnc2c(n1)OC(C=Cc1ccco1)Nc1c2cccc1
InChI=1SC19H16N4O2Sc12122619211817(222319)14734815(14)2016(2518)1091365112413h2111620H112H2b109+
MFCD01836969
ZINC000002977999
ZINC000002978001
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