Vitas-M small molecule compound

2-{[1-(4-bromo-2-methylphenyl)-3-methoxy-3-oxopropyl]carbamoyl}cyclohex-1-ene-1-carboxylic acid

Catalog ID
STK104198
SMILES COC(=O)CC(c1ccc(cc1C)Br)NC(=O)C1=C(CCCC1)C(=O)O

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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 C19H22BrNO5 MW 424.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrNO5/c1-11-9-12(20)7-8-13(11)16(10-17(22)26-2)21-18(23)14-5-3-4-6-15(14)19(24)25/h7-9,16H,3-6,10H2,1-2H3,(H,21,23)(H,24,25)
InChIKey
JVWDQUNRXNWURP-UHFFFAOYSA-N
Synonyms

2((1(4BROMO2METHYLPHENYL)3METHOXY3OXOPROPYL)CARBAMOYL)CYCLOHEX1ENE1CARBOXYLICACID
2((1(4BROMO2METHYLPHENYL)3METHOXY3OXOPROPYL)CARBAMOYL)CYCLOHEXENE1CARBOXYLICACID
CC1=C(C=CC(=C1)Br)C(CC(=O)OC)NC(=O)C2=C(CCCC2)C(=O)O
InChI=1SC19H22BrNO5c111912(20)7813(11)16(1017(22)262)2118(23)14534615(14)19(24)25h7916H3610H212H3(H2123)(H2425)
MFCD08677938
ZINC000012464343
ZINC000012464347

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Available files

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