Vitas-M small molecule compound
3-(4-ethylphenyl)-10,11-dihydro-4,10-methanopyrazolo[4,3-c][1,5]benzoxazocine-4(1H)-carboxylic acid
Catalog ID
STL190985
SMILES CCc1ccc(cc1)c1n[nH]c2c1C1(CC(N2)c2c(O1)cccc2)C(=O)O
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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 C21H19N3O3 MW 361.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3/c1-2-12-7-9-13(10-8-12)18-17-19(24-23-18)22-15-11-21(17,20(25)26)27-16-6-4-3-5-14(15)16/h3-10,15H,2,11H2,1H3,(H,25,26)(H2,22,23,24)InChIKey
RMCCQXSDBPUCKB-UHFFFAOYSA-NSynonyms
3(4ethylphenyl)1011dihydro410methanopyrazolo(43c)(15)benzoxazocine4(1H)carboxylicacid
CCC1=CC=C(C=C1)C2=C3C(=NC4CC3(OC5=CC=CC=C45)C(=O)O)NN2
CCc1ccc(cc1)c1n(nH)c2c1C1(CC(N2)c2c(O1)cccc2)C(=O)O
InChI=1SC21H19N3O3c12127913(10812)181719(242318)22151121(1720(25)26)2716643514(15)16h31015H211H21H3(H2526)(H2222324)
MFCD22390176
ZINC000072332283
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