Vitas-M small molecule compound
methyl 3-{[4-bromo-3,5-bis(3,4-dimethylphenyl)-1H-pyrazol-1-yl]methyl}benzoate
Catalog ID
STK314112
SMILES COC(=O)c1cccc(c1)Cn1nc(c(c1c1ccc(c(c1)C)C)Br)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 C28H27BrN2O2 MW 503.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN2O2/c1-17-9-11-22(13-19(17)3)26-25(29)27(23-12-10-18(2)20(4)14-23)31(30-26)16-21-7-6-8-24(15-21)28(32)33-5/h6-15H,16H2,1-5H3InChIKey
AEHZZZRRZJAMJC-UHFFFAOYSA-NSynonyms
1006337-64-91006337649
CC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=CC(=C3)C(=O)OC)C4=CC(=C(C=C4)C)C)Br)C
InChI=1SC28H27BrN2O2c11791122(1319(17)3)2625(29)27(23121018(2)20(4)1423)31(3026)162176824(1521)28(32)335h615H16H215H3
methyl3((4bromo35bis(34dimethylphenyl)1Hpyrazol1yl)methyl)benzoate
methyl3((4bromo35bis(34dimethylphenyl)pyrazol1yl)methyl)benzoate
MFCD08552372
ZINC000013960751
ZINC13960751
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