Vitas-M small molecule compound
3-[(4-bromo-2-ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK475025
SMILES CCc1cc(Br)ccc1NC(=O)C1C2C=CC(C1C(=O)O)O2
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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 C16H16BrNO4 MW 366.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrNO4/c1-2-8-7-9(17)3-4-10(8)18-15(19)13-11-5-6-12(22-11)14(13)16(20)21/h3-7,11-14H,2H2,1H3,(H,18,19)(H,20,21)InChIKey
VWFCAVRTTGYKGQ-UHFFFAOYSA-NSynonyms
2((4bromo2ethylphenyl)carbamoyl)7oxabicyclo(221)hept5ene3carboxylicacid
3((4bromo2ethylphenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(4BROMO2ETHYLPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCC1=C(C=CC(=C1)Br)NC(=O)C2C3C=CC(C2C(=O)O)O3
InChI=1SC16H16BrNO4c12879(17)3410(8)1815(19)13115612(2211)14(13)16(20)21h371114H2H21H3(H1819)(H2021)
MFCD06059257
ZINC000225788675
ZINC000239235380
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