Vitas-M small molecule compound
1-[7-acetyl-3-(prop-2-en-1-ylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]naphthalen-2-yl acetate
Catalog ID
STK521053
SMILES C=CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1c(ccc2c1cccc2)OC(=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 C27H22N4O4S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4S/c1-4-15-36-27-28-25-24(29-30-27)20-11-7-8-12-21(20)31(16(2)32)26(35-25)23-19-10-6-5-9-18(19)13-14-22(23)34-17(3)33/h4-14,26H,1,15H2,2-3H3InChIKey
RKFNLGPFJGPHNT-UHFFFAOYSA-NSynonyms
(1(7ACETYL3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)NAPHTHALEN2YL)ACETATE
1(7ACETYL3(ALLYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2NAPHTHYLACETATE
1(7acetyl3(prop2en1ylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)naphthalen2ylacetate
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=C(C=CC5=CC=CC=C54)OC(=O)C
InChI=1SC27H22N4O4Sc14153627282524(293027)2011781221(20)31(16(2)32)26(3525)23191065918(19)131422(23)3417(3)33h41426H115H223H3
MFCD02952074
ZINC000002113437
ZINC000002113439
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