Vitas-M small molecule compound
3-{[1-(1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STK788287
SMILES O=C1Nc2ccccc2CCC1Sc1nnnn1c1ccc2c(c1)OCO2
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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 C18H15N5O3S MW 381.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O3S/c24-17-16(8-5-11-3-1-2-4-13(11)19-17)27-18-20-21-22-23(18)12-6-7-14-15(9-12)26-10-25-14/h1-4,6-7,9,16H,5,8,10H2,(H,19,24)InChIKey
RSHWLRYXMFLCQH-UHFFFAOYSA-NSynonyms
1040712-61-51040712615
3((1(13benzodioxol5yl)1Htetrazol5yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((1(benzo(d)(13)dioxol5yl)1Htetrazol5yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
3(1(13benzodioxol5yl)tetrazol5yl)sulfanyl1345tetrahydro1benzazepin2one
C1CC2=CC=CC=C2NC(=O)C1SC3=NN=NN3C4=CC5=C(C=C4)OCO5
InChI=1SC18H15N5O3Sc241716(8511312413(11)1917)271820212223(18)12671415(912)26102514h1467916H5810H2(H1924)
MFCD12208035
ZINC000020731033
ZINC000020731037
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