Vitas-M small molecule compound
3-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazol-5-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STK788301
SMILES O=C1Nc2ccccc2CCC1Sc1nnnn1c1ccc2c(c1)OCCO2
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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 C19H17N5O3S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O3S/c25-18-17(8-5-12-3-1-2-4-14(12)20-18)28-19-21-22-23-24(19)13-6-7-15-16(11-13)27-10-9-26-15/h1-4,6-7,11,17H,5,8-10H2,(H,20,25)InChIKey
SVIJVVPHHHKKFH-UHFFFAOYSA-NSynonyms
1040715-96-51040715965
3((1(23dihydro14benzodioxin6yl)1Htetrazol5yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((1(23dihydrobenzo(b)(14)dioxin6yl)1Htetrazol5yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
3(1(23dihydro14benzodioxin6yl)tetrazol5yl)sulfanyl1345tetrahydro1benzazepin2one
C1CC2=CC=CC=C2NC(=O)C1SC3=NN=NN3C4=CC5=C(C=C4)OCCO5
InChI=1SC19H17N5O3Sc251817(8512312414(12)2018)281921222324(19)13671516(1113)271092615h14671117H5810H2(H2025)
MFCD12211158
ZINC000032071030
ZINC000032071033
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