Vitas-M small molecule compound

4,5-dibromo-2-[(pyridin-3-ylmethyl)carbamoyl]cyclohexanecarboxylic acid

Catalog ID
STK545204
SMILES O=C(C1CC(Br)C(CC1C(=O)O)Br)NCc1cccnc1

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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 C14H16Br2N2O3 MW 420.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16Br2N2O3/c15-11-4-9(10(14(20)21)5-12(11)16)13(19)18-7-8-2-1-3-17-6-8/h1-3,6,9-12H,4-5,7H2,(H,18,19)(H,20,21)
InChIKey
YEIZWXHGDGESIO-UHFFFAOYSA-N
Synonyms
318466-38-5
318466385
45dibromo2((pyridin3ylmethyl)carbamoyl)cyclohexanecarboxylicacid
45DIBROMO2(PYRIDIN3YLMETHYLCARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
C1C(C(CC(C1Br)Br)C(=O)O)C(=O)NCC2=CN=CC=C2
InChI=1SC14H16Br2N2O3c151149(10(14(20)21)512(11)16)13(19)18782131768h136912H457H2(H1819)(H2021)
MFCD01577343
ZINC000000708399
ZINC000239433621

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.