Vitas-M small molecule compound
{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazol-4-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Catalog ID
STL018075
SMILES Clc1ccc(cc1)c1onc2c1cc(cc2)n1nnc(c1C)C(=O)N1CCc2c(C1)cccc2
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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 C26H20ClN5O2 MW 469.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN5O2/c1-16-24(26(33)31-13-12-17-4-2-3-5-19(17)15-31)28-30-32(16)21-10-11-23-22(14-21)25(34-29-23)18-6-8-20(27)9-7-18/h2-11,14H,12-13,15H2,1H3InChIKey
MHIUIFPGBRQIKY-UHFFFAOYSA-NSynonyms
950382-89-5(1(3(4chlorophenyl)21benzoxazol5yl)5methyl1H123triazol4yl)(34dihydroisoquinolin2(1H)yl)methanone
(1(3(4chlorophenyl)21benzoxazol5yl)5methyltriazol4yl)(34dihydro1Hisoquinolin2yl)methanone
(1(3(4CHLOROPHENYL)BENZO(C)ISOXAZOL5YL)5METHYL1H123TRIAZOL4YL)(34DIHYDROISOQUINOLIN2(1H)YL)METHANONE
950382895
CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl)C(=O)N5CCC6=CC=CC=C6C5
InChI=1SC26H20ClN5O2c11624(26(33)31131217423519(17)1531)283032(16)2110112322(1421)25(342923)186820(27)9718h21114H121315H21H3
MFCD10082059
ZINC000012274478
ZINC12274478
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