Vitas-M small molecule compound

2-[7-acetyl-3-(prop-2-en-1-ylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-methylphenyl acetate

Catalog ID
STK521054
SMILES C=CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(C)ccc1OC(=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 C24H22N4O4S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S/c1-5-12-33-24-25-22-21(26-27-24)17-8-6-7-9-19(17)28(15(3)29)23(32-22)18-13-14(2)10-11-20(18)31-16(4)30/h5-11,13,23H,1,12H2,2-4H3
InChIKey
RABTZPHNEZTNGC-UHFFFAOYSA-N
Synonyms

(2(7ACETYL3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4METHYLPHENYL)ACETATE
2(7ACETYL3(ALLYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4METHYLPHENYLACETATE
2(7acetyl3(prop2en1ylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4methylphenylacetate
CC1=CC(=C(C=C1)OC(=O)C)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C(=O)C
InChI=1SC24H22N4O4Sc15123324252221(262724)17867919(17)28(15(3)29)23(3222)181314(2)101120(18)3116(4)30h5111323H112H224H3
MFCD02952091
ZINC000002113553
ZINC000002113555

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Available files

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