Vitas-M small molecule compound
2,3-dihydro-1,4-benzodioxin-6-yl(7-methyl-4-{[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl}furo[2,3-c]pyridin-2-yl)methanone
Catalog ID
STL319663
SMILES O=C(c1oc2c(c1)c(cnc2C)CN1CCN(CC1)Cc1cccnc1)c1ccc2c(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 C28H28N4O4 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4/c1-19-28-23(14-26(36-28)27(33)21-4-5-24-25(13-21)35-12-11-34-24)22(16-30-19)18-32-9-7-31(8-10-32)17-20-3-2-6-29-15-20/h2-6,13-16H,7-12,17-18H2,1H3InChIKey
AICPPXLKOPETKW-UHFFFAOYSA-NSynonyms
(23dihydrobenzo(b)(14)dioxin6yl)(7methyl4((4(pyridin3ylmethyl)piperazin1yl)methyl)furo(23c)pyridin2yl)methanonedihydrochloride
23dihydro14benzodioxin6yl(7methyl4((4(pyridin3ylmethyl)piperazin1yl)methyl)furo(23c)pyridin2yl)methanone
CC1=NC=C(C2=C1OC(=C2)C(=O)C3=CC4=C(C=C3)OCCO4)CN5CCN(CC5)CC6=CN=CC=C6
InChI=1SC28H28N4O4c1192823(1426(3628)27(33)21452425(1321)3512113424)22(163019)18329731(81032)1720326291520h261316H7121718H21H3
MFCD28029056
O=C(c1oc2c(c1)c(cnc2C)CN1CCN(CC1)Cc1cccnc1)c1ccc2c(c1)OCCO2ClCl
ZINC000095480243
ZINC95480243
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