Vitas-M small molecule compound
6-hydroxy-3-(4-methylphenyl)-10,11-dihydro-4,10-methanopyrazolo[4,3-c][1,5]benzoxazocine-4(1H)-carboxylic acid
Catalog ID
STL193332
SMILES Cc1ccc(cc1)c1n[nH]c2c1C1(CC(N2)c2c(O1)c(O)ccc2)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 C20H17N3O4 MW 363.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4/c1-10-5-7-11(8-6-10)16-15-18(23-22-16)21-13-9-20(15,19(25)26)27-17-12(13)3-2-4-14(17)24/h2-8,13,24H,9H2,1H3,(H,25,26)(H2,21,22,23)InChIKey
IKIZALMWBBVJRI-UHFFFAOYSA-NSynonyms
6hydroxy3(4methylphenyl)1011dihydro410methanopyrazolo(43c)(15)benzoxazocine4(1H)carboxylicacid
CC1=CC=C(C=C1)C2=C3C(=NC4CC3(OC5=C4C=CC=C5O)C(=O)O)NN2
Cc1ccc(cc1)c1n(nH)c2c1C1(CC(N2)c2c(O1)c(O)ccc2)C(=O)O
InChI=1SC20H17N3O4c1105711(8610)161518(232216)2113920(1519(25)26)271712(13)32414(17)24h281324H9H21H3(H2526)(H2212223)
MFCD22390973
ZINC000072333496
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