Vitas-M small molecule compound
methyl 4-{[4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1H-pyrazol-1-yl]methyl}benzoate
Catalog ID
STL394888
SMILES COC(=O)c1ccc(cc1)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/c1-33-21-12-10-19(14-23(21)35-3)26-25(29)27(20-11-13-22(34-2)24(15-20)36-4)31(30-26)16-17-6-8-18(9-7-17)28(32)37-5/h6-15H,16H2,1-5H3InChIKey
QHQRXMVNAITJKV-UHFFFAOYSA-NSynonyms
1006340-31-31006340313
COC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=C(C=C3)C(=O)OC)C4=CC(=C(C=C4)OC)OC)Cl)OC
InChI=1SC28H27ClN2O6c13321121019(1423(21)353)2625(29)27(20111322(342)24(1520)364)31(3026)16176818(9717)28(32)375h615H16H215H3
METHYL4((4CHLORO35BIS(34DIMETHOXYPHENYL)1HPYRAZOL1YL)METHYL)BENZOATE
methyl4((4chloro35bis(34dimethoxyphenyl)pyrazol1yl)methyl)benzoate
MFCD08551328
ZINC000022847425
ZINC22847425
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