Vitas-M small molecule compound
3-[(4-bromo-3-methylphenyl)carbamoyl]-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK463539
SMILES O=C(C1C2CCC(C1C(=O)O)C2=C(C)C)Nc1ccc(c(c1)C)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 C19H22BrNO3 MW 392.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrNO3/c1-9(2)15-12-5-6-13(15)17(19(23)24)16(12)18(22)21-11-4-7-14(20)10(3)8-11/h4,7-8,12-13,16-17H,5-6H2,1-3H3,(H,21,22)(H,23,24)InChIKey
FXSOVLRGNVFBOP-UHFFFAOYSA-NSynonyms
2((4bromo3methylphenyl)carbamoyl)7propan2ylidenebicyclo(221)heptane3carboxylicacid
3((4bromo3methylphenyl)carbamoyl)7(propan2ylidene)bicyclo(221)heptane2carboxylicacid
3(N(4BROMO3METHYLPHENYL)CARBAMOYL)7(METHYLETHYLIDENE)BICYCLO(221)HEPTANE2CARBOXYLICACID
CC1=C(C=CC(=C1)NC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C)Br
InChI=1SC19H22BrNO3c19(2)15125613(15)17(19(23)24)16(12)18(22)21114714(20)10(3)811h47812131617H56H213H3(H2122)(H2324)
MFCD06067225
ZINC000102323522
ZINC000229999078
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