Vitas-M small molecule compound
6-methoxy-3-(4-methoxyphenyl)-10,11-dihydro-4,10-methanopyrazolo[4,3-c][1,5]benzoxazocine-4(1H)-carboxylic acid
Catalog ID
STL190987
SMILES COc1ccc(cc1)c1n[nH]c2c1C1(CC(N2)c2c(O1)c(OC)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 C21H19N3O5 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5/c1-27-12-8-6-11(7-9-12)17-16-19(24-23-17)22-14-10-21(16,20(25)26)29-18-13(14)4-3-5-15(18)28-2/h3-9,14H,10H2,1-2H3,(H,25,26)(H2,22,23,24)InChIKey
CHHANHPOQGFJHB-UHFFFAOYSA-NSynonyms
6methoxy3(4methoxyphenyl)1011dihydro410methanopyrazolo(43c)(15)benzoxazocine4(1H)carboxylicacid
COC1=CC=C(C=C1)C2=C3C(=NC4CC3(OC5=C4C=CC=C5OC)C(=O)O)NN2
COc1ccc(cc1)c1n(nH)c2c1C1(CC(N2)c2c(O1)c(OC)ccc2)C(=O)O
InChI=1SC21H19N3O5c127128611(7912)171619(242317)22141021(1620(25)26)291813(14)43515(18)282h3914H10H212H3(H2526)(H2222324)
MFCD22390178
ZINC000072332287
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