Vitas-M small molecule compound

trans-4-[({2-[(4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid

Catalog ID
STL530276
SMILES Cc1cc(OC(C(=O)NC[C@@H]2CC[C@H](CC2)C(=O)O)C)c2c(c1)oc(=O)cc2C

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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 C22H27NO6 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO6/c1-12-8-17(20-13(2)10-19(24)29-18(20)9-12)28-14(3)21(25)23-11-15-4-6-16(7-5-15)22(26)27/h8-10,14-16H,4-7,11H2,1-3H3,(H,23,25)(H,26,27)/t14?,15-,16-
InChIKey
XWURMJXPBINAQM-KURUOMIPSA-N
Synonyms

(1r4r)4((2((47dimethyl2oxo2Hchromen5yl)oxy)propanamido)methyl)cyclohexanecarboxylicacid
Cc1cc(OC(C(=O)NC(C@@H)2CC(C@H)(CC2)C(=O)O)C)c2c(c1)oc(=O)cc2C
InChI=1SC22H27NO6c112817(2013(2)1019(24)2918(20)912)2814(3)21(25)2311154616(7515)22(26)27h8101416H4711H213H3(H2325)(H2627)t14?1516
MFCD05674103
trans4(((2((47dimethyl2oxo2Hchromen5yl)oxy)propanoyl)amino)methyl)cyclohexanecarboxylicacid
ZINC000252695296
ZINC000252695297

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Available files

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