Vitas-M small molecule compound
3-(4-bromophenyl)-6-methoxy-10,11-dihydro-4,10-methanopyrazolo[4,3-c][1,5]benzoxazocine-4(1H)-carboxylic acid
Catalog ID
STL190982
SMILES COc1cccc2c1OC1(CC2Nc2c1c(n[nH]2)c1ccc(cc1)Br)C(=O)O
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H16BrN3O4 MW 442.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O4/c1-27-14-4-2-3-12-13-9-20(19(25)26,28-17(12)14)15-16(23-24-18(15)22-13)10-5-7-11(21)8-6-10/h2-8,13H,9H2,1H3,(H,25,26)(H2,22,23,24)InChIKey
WGILBBXGPIQIRU-UHFFFAOYSA-NSynonyms
3(4bromophenyl)6methoxy1011dihydro410methanopyrazolo(43c)(15)benzoxazocine4(1H)carboxylicacid
COC1=CC=CC2=C1OC3(CC2N=C4C3=C(NN4)C5=CC=C(C=C5)Br)C(=O)O
COc1cccc2c1OC1(CC2Nc2c1c(n(nH)2)c1ccc(cc1)Br)C(=O)O
InChI=1SC20H16BrN3O4c127144231213920(19(25)262817(12)14)1516(232418(15)2213)105711(21)8610h2813H9H21H3(H2526)(H2222324)
MFCD22390173
ZINC000101353889
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