Vitas-M small molecule compound
3-{[1-(2,5-dimethoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STK655802
SMILES COc1ccc(c(c1)n1nnnc1SC1CCc2c(NC1=O)cccc2)OC
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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 C19H19N5O3S MW 397.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O3S/c1-26-13-8-9-16(27-2)15(11-13)24-19(21-22-23-24)28-17-10-7-12-5-3-4-6-14(12)20-18(17)25/h3-6,8-9,11,17H,7,10H2,1-2H3,(H,20,25)InChIKey
IGRFUWQFBCJUEB-UHFFFAOYSA-NSynonyms
1040702-25-71040702257
3((1(25dimethoxyphenyl)1Htetrazol5yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((1(25dimethoxyphenyl)1Htetrazol5yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
3(1(25dimethoxyphenyl)tetrazol5yl)sulfanyl1345tetrahydro1benzazepin2one
COC1=CC(=C(C=C1)OC)N2C(=NN=N2)SC3CCC4=CC=CC=C4NC3=O
InChI=1SC19H19N5O3Sc126138916(272)15(1113)2419(21222324)281710712534614(12)2018(17)25h36891117H710H212H3(H2025)
MFCD12218516
ZINC000032106228
ZINC000032106231
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