Vitas-M small molecule compound

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

Catalog ID
STL469708
SMILES O=C(N1CCN(CC1)C(=O)c1ccc2c(c1)OCCCO2)CCCc1c[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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c30-25(8-3-5-20-18-27-22-7-2-1-6-21(20)22)28-11-13-29(14-12-28)26(31)19-9-10-23-24(17-19)33-16-4-15-32-23/h1-2,6-7,9-10,17-18,27H,3-5,8,11-16H2
InChIKey
UMOLCHLVXTZECD-UHFFFAOYSA-N
Synonyms
1190297-87-0
1(4(34dihydro2H15benzodioxepin7ylcarbonyl)piperazin1yl)4(1Hindol3yl)butan1one
1(4(34dihydro2H15benzodioxepine7carbonyl)piperazin1yl)4(1Hindol3yl)butan1one
1(4(34dihydro2Hbenzo(b)(14)dioxepine7carbonyl)piperazin1yl)4(1Hindol3yl)butan1one
1190297870
C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)CCCC4=CNC5=CC=CC=C54)OC1
InChI=1SC26H29N3O4c3025(83520182722721621(20)22)28111329(141228)26(31)199102324(1719)33164153223h1267910171827H3581116H2
MFCD13676947
O=C(N1CCN(CC1)C(=O)c1ccc2c(c1)OCCCO2)CCCc1c(nH)c2c1cccc2
ZINC000036369889
ZINC36369889

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Available files

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