Vitas-M small molecule compound
1-[6-(1,3-benzodioxol-5-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520928
SMILES CCCSc1nnc2c(n1)OC(c1ccc3c(c1)OCO3)N(c1c2cccc1)C(=O)C
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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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-3-10-31-22-23-20-19(24-25-22)15-6-4-5-7-16(15)26(13(2)27)21(30-20)14-8-9-17-18(11-14)29-12-28-17/h4-9,11,21H,3,10,12H2,1-2H3InChIKey
XEOAUCVSSCQWKB-UHFFFAOYSA-NSynonyms
1(6(13benzodioxol5yl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(13BENZODIOXOL5YL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(13BENZODIOXOL5YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLPROPYLSULFIDE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC5=C(C=C4)OCO5)C(=O)C)N=N1
InChI=1SC22H20N4O4Sc13103122232019(242522)15645716(15)26(13(2)27)21(3020)14891718(1114)29122817h491121H31012H212H3
MFCD02071238
ZINC000002087158
ZINC000002087161
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