Vitas-M small molecule compound
1-[6-(1,3-benzodioxol-5-yl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521095
SMILES C=CCSc1nnc2c(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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/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/h3-9,11,21H,1,10,12H2,2H3InChIKey
VDIRCMXIKLTFKA-UHFFFAOYSA-NSynonyms
1(6(13benzodioxol5yl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(13BENZODIOXOL5YL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(ALLYLSULFANYL)6(13BENZODIOXOL5YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC5=C(C=C4)OCO5
InChI=1SC22H18N4O4Sc13103122232019(242522)15645716(15)26(13(2)27)21(3020)14891718(1114)29122817h391121H11012H22H3
MFCD02952094
ZINC000002113576
ZINC000002113578
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