Vitas-M small molecule compound

4,4-diphenyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,4-dihydro-2H-3,1-benzoxazine

Catalog ID
STK771191
SMILES CC1=CCC(C1(C)C)CC1Nc2ccccc2C(O1)(c1ccccc1)c1ccccc1

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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 C29H31NO MW 409.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO/c1-21-18-19-24(28(21,2)3)20-27-30-26-17-11-10-16-25(26)29(31-27,22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-18,24,27,30H,19-20H2,1-3H3
InChIKey
LMMQJRQJHFZWPB-UHFFFAOYSA-N
Synonyms

44DIPHENYL2((223TRIMETHYLCYCLOPENT3EN1YL)METHYL)12DIHYDRO31BENZOXAZINE
44diphenyl2((223trimethylcyclopent3en1yl)methyl)14dihydro2H31benzoxazine
44DIPHENYL2((223TRIMETHYLCYCLOPENT3ENYL)METHYL)1H2HBENZO(D)13OXAZINE
CC1=CCC(C1(C)C)CC2NC3=CC=CC=C3C(O2)(C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC29H31NOc121181924(28(212)3)202730261711101625(26)29(312722126471322)23148591523h418242730H1920H213H3
MFCD03767123
ZINC000004575374
ZINC000004575381

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.