Vitas-M small molecule compound
2-[3-(cyclohexylcarbonyl)-1H-indol-1-yl]-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Catalog ID
STL419827
SMILES O=C(Cn1cc(c2c1cccc2)C(=O)C1CCCCC1)NCc1cc2OCCCOc2cc1C
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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 C28H32N2O4 MW 460.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O4/c1-19-14-25-26(34-13-7-12-33-25)15-21(19)16-29-27(31)18-30-17-23(22-10-5-6-11-24(22)30)28(32)20-8-3-2-4-9-20/h5-6,10-11,14-15,17,20H,2-4,7-9,12-13,16,18H2,1H3,(H,29,31)InChIKey
XSCQECJNYSJTBT-UHFFFAOYSA-NSynonyms
2(3(cyclohexanecarbonyl)indol1yl)N((8methyl34dihydro2H15benzodioxepin7yl)methyl)acetamide
2(3(cyclohexylcarbonyl)1Hindol1yl)N((8methyl34dihydro2H15benzodioxepin7yl)methyl)acetamide
CC1=CC2=C(C=C1CNC(=O)CN3C=C(C4=CC=CC=C43)C(=O)C5CCCCC5)OCCCO2
InChI=1SC28H32N2O4c119142526(34137123325)1521(19)162927(31)18301723(2210561124(22)30)28(32)208324920h56101114151720H247912131618H21H3(H2931)
MFCD15078998
ZINC000015867256
ZINC15867256
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