Vitas-M small molecule compound

methyl 6-bromo-1-ethyl-2-oxo-1-(phenylcarbonyl)-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxylate

Catalog ID
STK768714
SMILES COC(=O)C12C(=O)Oc3c(C1C2(CC)C(=O)c1ccccc1)cc(cc3)Br

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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 C21H17BrO5 MW 429.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrO5/c1-3-20(17(23)12-7-5-4-6-8-12)16-14-11-13(22)9-10-15(14)27-19(25)21(16,20)18(24)26-2/h4-11,16H,3H2,1-2H3
InChIKey
SPEZWJOIRKUOFO-UHFFFAOYSA-N
Synonyms

CCC1(C2C1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)OC)C(=O)C4=CC=CC=C4
InChI=1SC21H17BrO5c1320(17(23)127546812)16141113(22)91015(14)2719(25)21(1620)18(24)262h41116H3H212H3
METHYL1BENZOYL6BROMO1ETHYL2OXO7BHCYCLOPROPA(C)CHROMENE1ACARBOXYLATE
methyl6bromo1ethyl2oxo1(phenylcarbonyl)17bdihydrocyclopropa(c)chromene1a(2H)carboxylate
MFCD03308081
ZINC000000720411
ZINC000230004415

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Available files

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