Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-[4-(prop-2-en-1-yloxy)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK326325
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(cc1)OCC=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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c1-4-8-20(29)28-19-10-7-6-9-18(19)21-22(25-24(32-3)27-26-21)31-23(28)16-11-13-17(14-12-16)30-15-5-2/h5-7,9-14,23H,2,4,8,15H2,1,3H3InChIKey
VNQNZAZPMBQKNI-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(4(prop2en1yloxy)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(3METHYLSULFANYL6(4PROP2ENOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
ALLYL4(7BUTYRYL3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLETHER
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)OCC=C
InChI=1SC24H24N4O3Sc14820(29)28191076918(19)2122(2524(323)272621)3123(28)16111317(141216)301552h5791423H24815H213H3
MFCD03080469
ZINC000002113894
ZINC000002113896
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