Vitas-M small molecule compound

methyl 1-methyl-1-[(4-methylphenyl)carbonyl]-2-oxo-1,9c-dihydrobenzo[f]cyclopropa[c]chromene-1a(2H)-carboxylate

Catalog ID
STK772842
SMILES COC(=O)C12C(=O)Oc3c(C1C2(C)C(=O)c1ccc(cc1)C)c1ccccc1cc3

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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 C25H20O5 MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20O5/c1-14-8-10-16(11-9-14)21(26)24(2)20-19-17-7-5-4-6-15(17)12-13-18(19)30-23(28)25(20,24)22(27)29-3/h4-13,20H,1-3H3
InChIKey
JPDZWYORCLXAMA-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C(=O)C2(C3C2(C(=O)OC4=C3C5=CC=CC=C5C=C4)C(=O)OC)C
InChI=1SC25H20O5c11481016(11914)21(26)24(2)201917754615(17)121318(19)3023(28)25(2024)22(27)293h41320H13H3
METHYL(1R1AS9CS)1METHYL1(4METHYLBENZOYL)2OXO19CDIHYDROBENZO(F)CYCLOPROPA(C)CHROMENE1A(2H)CARBOXYLATE
methyl1methyl1((4methylphenyl)carbonyl)2oxo19cdihydrobenzo(f)cyclopropa(c)chromene1a(2H)carboxylate
MFCD03820865
ZINC000001078504
ZINC000100145361

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Available files

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