Vitas-M small molecule compound
3-{[1-(4-acetylphenyl)-1H-tetrazol-5-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STK653219
SMILES O=C1Nc2ccccc2CCC1Sc1nnnn1c1ccc(cc1)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 C19H17N5O2S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O2S/c1-12(25)13-6-9-15(10-7-13)24-19(21-22-23-24)27-17-11-8-14-4-2-3-5-16(14)20-18(17)26/h2-7,9-10,17H,8,11H2,1H3,(H,20,26)InChIKey
WRGGEROYLONDAX-UHFFFAOYSA-NSynonyms
1040710-11-91040710119
3((1(4acetylphenyl)1Htetrazol5yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((1(4acetylphenyl)1Htetrazol5yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
3(1(4acetylphenyl)tetrazol5yl)sulfanyl1345tetrahydro1benzazepin2one
CC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SC3CCC4=CC=CC=C4NC3=O
InChI=1SC19H17N5O2Sc112(25)136915(10713)2419(21222324)271711814423516(14)2018(17)26h2791017H811H21H3(H2026)
MFCD12216555
ZINC000032101384
ZINC000032101387
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