Vitas-M small molecule compound

3,4-dihydro-2H-1,5-benzodioxepin-7-yl[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]methanone

Catalog ID
STK651366
SMILES O=C(c1ccc2c(c1)OCCCO2)N1CCN(CC1)C(=O)c1c[nH]c2c1cccc2

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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 C23H23N3O4 MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4/c27-22(16-6-7-20-21(14-16)30-13-3-12-29-20)25-8-10-26(11-9-25)23(28)18-15-24-19-5-2-1-4-17(18)19/h1-2,4-7,14-15,24H,3,8-13H2
InChIKey
RYOAABGOTYCKBV-UHFFFAOYSA-N
Synonyms
1190280-27-3
(4(1Hindole3carbonyl)piperazin1yl)(34dihydro2Hbenzo(b)(14)dioxepin7yl)methanone
1190280273
34dihydro2H15benzodioxepin7yl(4(1Hindol3ylcarbonyl)piperazin1yl)methanone
34dihydro2H15benzodioxepin7yl(4(1Hindole3carbonyl)piperazin1yl)methanone
C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CNC5=CC=CC=C54)OC1
InChI=1SC23H23N3O4c2722(16672021(1416)30133122920)2581026(11925)23(28)18152419521417(18)19h1247141524H3813H2
MFCD13756342
O=C(c1ccc2c(c1)OCCCO2)N1CCN(CC1)C(=O)c1c(nH)c2c1cccc2
ZINC000036354552
ZINC36354552

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Available files

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