Vitas-M small molecule compound
1-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexanecarboxamide
Catalog ID
STK149215
SMILES O=C(NC1(CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2)/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 C25H26N2O6 MW 450.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O6/c28-23(9-5-17-4-7-20-21(14-17)33-16-32-20)27-25(10-2-1-3-11-25)24(29)26-18-6-8-19-22(15-18)31-13-12-30-19/h4-9,14-15H,1-3,10-13,16H2,(H,26,29)(H,27,28)/b9-5+InChIKey
LPLHJOLENPMRAE-WEVVVXLNSA-NSynonyms
1(((2E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)N(23DIHYDRO14BENZODIOXIN6YL)CYCLOHEXANECARBOXAMIDE
1(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)N(23DIHYDRO14BENZODIOXIN6YL)CYCLOHEXANE1CARBOXAMIDE
C1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)OCCO3)NC(=O)C=CC4=CC5=C(C=C4)OCO5
InChI=1SC25H26N2O6c2823(9517472021(1417)33163220)2725(102131125)24(29)2618681922(1518)3113123019h491415H13101316H2(H2629)(H2728)b95+
MFCD08674022
O=C(NC1(CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2)C=Cc1ccc2c(c1)OCO2
ZINC000003614967
ZINC03614967
ZINC3614967
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