Vitas-M small molecule compound
1-[3-(prop-2-en-1-ylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521199
SMILES C=CCSc1nnc2c(n1)OC(c1cccnc1)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 C20H17N5O2S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O2S/c1-3-11-28-20-22-18-17(23-24-20)15-8-4-5-9-16(15)25(13(2)26)19(27-18)14-7-6-10-21-12-14/h3-10,12,19H,1,11H2,2H3InChIKey
VGHHUCJSBOPGDJ-UHFFFAOYSA-NSynonyms
1(3(prop2en1ylsulfanyl)6(pyridin3yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3PROP2ENYLSULFANYL6PYRIDIN3YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(ALLYLTHIO)6PYRIDIN3YL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
7ACETYL6(3PYRIDINYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLALLYLSULFIDE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CN=CC=C4
InChI=1SC20H17N5O2Sc13112820221817(232420)15845916(15)25(13(2)26)19(2718)147610211214h3101219H111H22H3
MFCD03080481
ZINC000002113914
ZINC000037866185
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