Vitas-M small molecule compound
3-{[3,5-dimethyl-1-(naphthalen-1-ylmethyl)-1H-pyrazol-4-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STL397217
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1c(C)nn(c1C)Cc1cccc2c1cccc2
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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 C25H25N3O3 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3/c1-14-23(26-24(29)21-17-10-11-18(12-17)22(21)25(30)31)15(2)28(27-14)13-19-8-5-7-16-6-3-4-9-20(16)19/h3-11,17-18,21-22H,12-13H2,1-2H3,(H,26,29)(H,30,31)InChIKey
OVUIKFDNBNAOIX-UHFFFAOYSA-NSynonyms
1053070-77-11053070771
2((35dimethyl1(naphthalen1ylmethyl)pyrazol4yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((35DIMETHYL1(NAPHTHALEN1YLMETHYL)1HPYRAZOL4YL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=O)C4C5CC(C4C(=O)O)C=C5
InChI=1SC25H25N3O3c11423(2624(29)2117101118(1217)22(21)25(30)31)15(2)28(2714)131985716634920(16)19h31117182122H1213H212H3(H2629)(H3031)
MFCD06064808
ZINC000101576154
ZINC000245240227
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