Vitas-M small molecule compound
1a-acetyl-6-bromo-1-[(4-chlorophenyl)carbonyl]-1-ethyl-1a,7b-dihydrocyclopropa[c]chromen-2(1H)-one
Catalog ID
STK772754
SMILES CCC1(C(=O)c2ccc(cc2)Cl)C2C1(C(=O)C)C(=O)Oc1c2cc(Br)cc1
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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 C21H16BrClO4 MW 447.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrClO4/c1-3-20(18(25)12-4-7-14(23)8-5-12)17-15-10-13(22)6-9-16(15)27-19(26)21(17,20)11(2)24/h4-10,17H,3H2,1-2H3InChIKey
HERXDMZGRGPLFY-UHFFFAOYSA-NSynonyms
1aacetyl6bromo1((4chlorophenyl)carbonyl)1ethyl1a7bdihydrocyclopropa(c)chromen2(1H)one
1AACETYL6BROMO1(4CHLOROBENZOYL)1ETHYL7BHCYCLOPROPA(C)CHROMEN2ONE
CCC1(C2C1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)C)C(=O)C4=CC=C(C=C4)Cl
InChI=1SC21H16BrClO4c1320(18(25)124714(23)8512)17151013(22)6916(15)2719(26)21(1720)11(2)24h41017H3H212H3
MFCD03820700
ZINC000001078216
ZINC000103006104
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