Vitas-M small molecule compound
2-methyl-5-{[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)carbonyl]amino}benzoic acid
Catalog ID
STL373138
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)Nc1ccc(c(c1)C(=O)O)C
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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 C20H21N3O4 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4/c1-12-5-6-15(8-16(12)19(25)26)21-20(27)22-9-13-7-14(11-22)17-3-2-4-18(24)23(17)10-13/h2-6,8,13-14H,7,9-11H2,1H3,(H,21,27)(H,25,26)InChIKey
IMJPFAVDWLRBKV-UHFFFAOYSA-NSynonyms
1798026-59-11798026591
2methyl5(((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonyl)amino)benzoicacid
2methyl5((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carboxamido)benzoicacid
CC1=C(C=C(C=C1)NC(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3)C(=O)O
InChI=1SC20H21N3O4c1125615(816(12)19(25)26)2120(27)22913714(1122)1732418(24)23(17)1013h2681314H7911H21H3(H2127)(H2526)
MFCD28142984
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Nc1ccc(c(c1)C(=O)O)C
ZINC000096113658
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