Vitas-M small molecule compound
methyl 3-{[4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1H-pyrazol-1-yl]methyl}benzoate
Catalog ID
STL401616
SMILES COC(=O)c1cccc(c1)Cn1nc(c(c1c1ccc(c(c1)OC)OC)Cl)c1ccc(c(c1)OC)OC
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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 C28H27ClN2O6 MW 522.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O6/c1-33-21-11-9-18(14-23(21)35-3)26-25(29)27(19-10-12-22(34-2)24(15-19)36-4)31(30-26)16-17-7-6-8-20(13-17)28(32)37-5/h6-15H,16H2,1-5H3InChIKey
ALHRVEGPDPHMCU-UHFFFAOYSA-NSynonyms
1006338-33-51006338335
COC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=CC(=C3)C(=O)OC)C4=CC(=C(C=C4)OC)OC)Cl)OC
InChI=1SC28H27ClN2O6c1332111918(1423(21)353)2625(29)27(19101222(342)24(1519)364)31(3026)161776820(1317)28(32)375h615H16H215H3
methyl3((4chloro35bis(34dimethoxyphenyl)1Hpyrazol1yl)methyl)benzoate
methyl3((4chloro35bis(34dimethoxyphenyl)pyrazol1yl)methyl)benzoate
MFCD08551462
ZINC000022847432
ZINC22847432
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