Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-N-({1-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl}methyl)prop-2-enamide

Catalog ID
STK438110
SMILES O=C(/C=C/c1ccc2c(c1)OCO2)NCC1CCN(CC1)C(=O)/C=C/c1ccc2c(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 C26H26N2O6 MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6/c29-25(7-3-18-1-5-21-23(13-18)33-16-31-21)27-15-20-9-11-28(12-10-20)26(30)8-4-19-2-6-22-24(14-19)34-17-32-22/h1-8,13-14,20H,9-12,15-17H2,(H,27,29)/b7-3+,8-4+
InChIKey
WSMDVDYMDSXAJC-FCXRPNKRSA-N
Synonyms

(2E)3(13benzodioxol5yl)N((1((2E)3(13benzodioxol5yl)prop2enoyl)piperidin4yl)methyl)prop2enamide
(2E)N((1((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYL)(4PIPERIDYL))METHYL)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N((1((E)3(13BENZODIOXOL5YL)PROP2ENOYL)PIPERIDIN4YL)METHYL)PROP2ENAMIDE
C1CN(CCC1CNC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC5=C(C=C4)OCO5
InChI=1SC26H26N2O6c2925(7318152123(1318)33163121)27152091128(121020)26(30)8419262224(1419)34173222h18131420H9121517H2(H2729)b73+84+
MFCD03399248
O=C(C=Cc1ccc2c(c1)OCO2)NCC1CCN(CC1)C(=O)C=Cc1ccc2c(c1)OCO2
ZINC000000652505
ZINC00652505
ZINC652505

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Available files

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