Vitas-M small molecule compound
methyl 3-{[3,5-bis(3,4-dimethylphenyl)-4-methyl-1H-pyrazol-1-yl]methyl}benzoate
Catalog ID
STL397426
SMILES COC(=O)c1cccc(c1)Cn1nc(c(c1c1ccc(c(c1)C)C)C)c1ccc(c(c1)C)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 C29H30N2O2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O2/c1-18-10-12-24(14-20(18)3)27-22(5)28(25-13-11-19(2)21(4)15-25)31(30-27)17-23-8-7-9-26(16-23)29(32)33-6/h7-16H,17H2,1-6H3InChIKey
KWASKUCJXHSNJE-UHFFFAOYSA-NSynonyms
1006339-96-31006339963
CC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=CC(=C3)C(=O)OC)C4=CC(=C(C=C4)C)C)C)C
InChI=1SC29H30N2O2c118101224(1420(18)3)2722(5)28(25131119(2)21(4)1525)31(3027)172387926(1623)29(32)336h716H17H216H3
METHYL3((35BIS(34DIMETHYLPHENYL)4METHYL1HPYRAZOL1YL)METHYL)BENZOATE
methyl3((35bis(34dimethylphenyl)4methylpyrazol1yl)methyl)benzoate
MFCD08552238
ZINC000002733417
ZINC02733417
ZINC2733417
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