Vitas-M small molecule compound

methyl 6-bromo-1-ethyl-1-[(4-fluorophenyl)carbonyl]-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxylate

Catalog ID
STK768715
SMILES COC(=O)C12C(=O)Oc3c(C1C2(CC)C(=O)c1ccc(cc1)F)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 C21H16BrFO5 MW 447.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrFO5/c1-3-20(17(24)11-4-7-13(23)8-5-11)16-14-10-12(22)6-9-15(14)28-19(26)21(16,20)18(25)27-2/h4-10,16H,3H2,1-2H3
InChIKey
BCBIYPMOHATPKE-UHFFFAOYSA-N
Synonyms

CCC1(C2C1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)OC)C(=O)C4=CC=C(C=C4)F
InChI=1SC21H16BrFO5c1320(17(24)114713(23)8511)16141012(22)6915(14)2819(26)21(1620)18(25)272h41016H3H212H3
methyl6bromo1ethyl1((4fluorophenyl)carbonyl)2oxo17bdihydrocyclopropa(c)chromene1a(2H)carboxylate
METHYL6BROMO1ETHYL1(4FLUOROBENZOYL)2OXO7BHCYCLOPROPA(C)CHROMENE1ACARBOXYLATE
MFCD03308114
ZINC000004110963
ZINC000229876951

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Available files

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