Vitas-M small molecule compound
1a-acetyl-6-bromo-1-ethyl-1-(phenylcarbonyl)-1a,7b-dihydrocyclopropa[c]chromen-2(1H)-one
Catalog ID
STK770877
SMILES CCC1(C(=O)c2ccccc2)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 C21H17BrO4 MW 413.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrO4/c1-3-20(18(24)13-7-5-4-6-8-13)17-15-11-14(22)9-10-16(15)26-19(25)21(17,20)12(2)23/h4-11,17H,3H2,1-2H3InChIKey
GACMDGLSUNMTJX-UHFFFAOYSA-NSynonyms
(1R1AR7BR)1AACETYL1BENZOYL6BROMO1ETHYL1A7BDIHYDROCYCLOPROPA(C)CHROMEN2(1H)ONE
1AACETYL1BENZOYL6BROMO1ETHYL7BHCYCLOPROPA(C)CHROMEN2ONE
1aacetyl6bromo1ethyl1(phenylcarbonyl)1a7bdihydrocyclopropa(c)chromen2(1H)one
CCC1(C2C1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)C)C(=O)C4=CC=CC=C4
InChI=1SC21H17BrO4c1320(18(24)137546813)17151114(22)91016(15)2619(25)21(1720)12(2)23h41117H3H212H3
MFCD03995597
ZINC000004601976
ZINC000101793032
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