Vitas-M small molecule compound
3-(4-bromophenyl)-10,11-dihydro-4,10-methanopyrazolo[4,3-c][1,5]benzoxazocine-4(1H)-carboxylic acid
Catalog ID
STL190983
SMILES Brc1ccc(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 C19H14BrN3O3 MW 412.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrN3O3/c20-11-7-5-10(6-8-11)16-15-17(23-22-16)21-13-9-19(15,18(24)25)26-14-4-2-1-3-12(13)14/h1-8,13H,9H2,(H,24,25)(H2,21,22,23)InChIKey
BQGDUXPDZSKNRR-UHFFFAOYSA-NSynonyms
3(4bromophenyl)1011dihydro410methanopyrazolo(43c)(15)benzoxazocine4(1H)carboxylicacid
Brc1ccc(cc1)c1n(nH)c2c1C1(CC(N2)c2c(O1)cccc2)C(=O)O
C1C2C3=CC=CC=C3OC1(C4=C(NNC4=N2)C5=CC=C(C=C5)Br)C(=O)O
InChI=1SC19H14BrN3O3c20117510(6811)161517(232216)2113919(1518(24)25)2614421312(13)14h1813H9H2(H2425)(H2212223)
MFCD22390174
ZINC000072332278
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