Vitas-M small molecule compound
2-{(4-chlorophenyl)[1-(diphenylmethyl)-1H-tetrazol-5-yl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL051376
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)C(c1nnnn1C(c1ccccc1)c1ccccc1)c1ccc(cc1)Cl)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 C30H24ClN5O4 MW 554.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClN5O4/c31-21-13-11-20(12-14-21)26(35-17-30-16-15-22(40-30)23(29(38)39)24(30)28(35)37)27-32-33-34-36(27)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,22-26H,17H2,(H,38,39)InChIKey
CXXROTRHFWUWOR-UHFFFAOYSA-NSynonyms
1024305-73-4(3aS6R)2((1benzhydryl1Htetrazol5yl)(4chlorophenyl)methyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1024305734
2((4chlorophenyl)(1(diphenylmethyl)1Htetrazol5yl)methyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
C1C23C=CC(O2)C(C3C(=O)N1C(C4=CC=C(C=C4)Cl)C5=NN=NN5C(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O
InChI=1SC30H24ClN5O4c3121131120(121421)26(351730161522(4030)23(29(38)39)24(30)28(35)37)2732333436(27)25(187314818)1995261019h1162226H17H2(H3839)
MFCD05727846
ZINC000226927294
ZINC000245242149
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