Vitas-M small molecule compound
3-({2-[2-(3,4-dimethylphenoxy)propanoyl]hydrazinyl}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK428753
SMILES O=C(C(Oc1ccc(c(c1)C)C)C)NNC(=O)C1C2C=CC(C1C(=O)O)C2
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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 C20H24N2O5 MW 372.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O5/c1-10-4-7-15(8-11(10)2)27-12(3)18(23)21-22-19(24)16-13-5-6-14(9-13)17(16)20(25)26/h4-8,12-14,16-17H,9H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)InChIKey
ILDDOMJAFVZHTL-UHFFFAOYSA-NSynonyms
2((2(34DIMETHYLPHENOXY)PROPANOYLAMINO)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((2(2(34dimethylphenoxy)propanoyl)hydrazinyl)carbonyl)bicyclo(221)hept5ene2carboxylicacid
3(N(2(34DIMETHYLPHENOXY)PROPANOYLAMINO)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=O)C2C3CC(C2C(=O)O)C=C3)C
InChI=1SC20H24N2O5c1104715(811(10)2)2712(3)18(23)212219(24)16135614(913)17(16)20(25)26h4812141617H9H213H3(H2123)(H2224)(H2526)
MFCD03234176
ZINC000102201827
ZINC000239310448
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