Vitas-M small molecule compound
2-{[1-(2-methylphenyl)-1H-tetrazol-5-yl](phenyl)methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL349782
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)C(c1nnnn1c1ccccc1C)c1ccccc1)O2
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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 C24H21N5O4 MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O4/c1-14-7-5-6-10-16(14)29-21(25-26-27-29)20(15-8-3-2-4-9-15)28-13-24-12-11-17(33-24)18(23(31)32)19(24)22(28)30/h2-12,17-20H,13H2,1H3,(H,31,32)InChIKey
HNRXJCZEOHTRIT-UHFFFAOYSA-NSynonyms
1052616-31-5(3aS6R)1oxo2(phenyl(1(otolyl)1Htetrazol5yl)methyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
1052616315
2((1(2methylphenyl)1Htetrazol5yl)(phenyl)methyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC1=CC=CC=C1N2C(=NN=N2)C(C3=CC=CC=C3)N4CC56C=CC(O5)C(C6C4=O)C(=O)O
InChI=1SC24H21N5O4c1147561016(14)2921(25262729)20(158324915)281324121117(3324)18(23(31)32)19(24)22(28)30h2121720H13H21H3(H3132)
MFCD07641742
ZINC000009130021
ZINC000245310090
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