Vitas-M small molecule compound
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylacetyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
Catalog ID
STL469709
SMILES O=C(N1CCN(CC1)C(=O)Cc1ccc2c(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 C27H31N3O4 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4/c31-26(8-3-5-21-19-28-23-7-2-1-6-22(21)23)29-11-13-30(14-12-29)27(32)18-20-9-10-24-25(17-20)34-16-4-15-33-24/h1-2,6-7,9-10,17,19,28H,3-5,8,11-16,18H2InChIKey
NAANECFJOAOYJS-UHFFFAOYSA-NSynonyms
1190240-59-51(4(2(34dihydro2H15benzodioxepin7yl)acetyl)piperazin1yl)4(1Hindol3yl)butan1one
1(4(2(34dihydro2Hbenzo(b)(14)dioxepin7yl)acetyl)piperazin1yl)4(1Hindol3yl)butan1one
1(4(34dihydro2H15benzodioxepin7ylacetyl)piperazin1yl)4(1Hindol3yl)butan1one
1190240595
C1COC2=C(C=C(C=C2)CC(=O)N3CCN(CC3)C(=O)CCCC4=CNC5=CC=CC=C54)OC1
InChI=1SC27H31N3O4c3126(83521192823721622(21)23)29111330(141229)27(32)18209102425(1720)34164153324h1267910171928H358111618H2
MFCD13676896
O=C(N1CCN(CC1)C(=O)Cc1ccc2c(c1)OCCCO2)CCCc1c(nH)c2c1cccc2
ZINC000036369828
ZINC36369828
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