Vitas-M small molecule compound
methyl 4-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
Catalog ID
STK694248
SMILES COC(=O)c1ccc(cc1)c1nc2n(c3c1CCCCCCCCCC3)ncc2c1ccc(cc1)Cl
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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 C30H32ClN3O2 MW 502.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClN3O2/c1-36-30(35)23-14-12-22(13-15-23)28-25-10-8-6-4-2-3-5-7-9-11-27(25)34-29(33-28)26(20-32-34)21-16-18-24(31)19-17-21/h12-20H,2-11H2,1H3InChIKey
MQLFGNZXYOUWSS-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2=NC3=C(C=NN3C4=C2CCCCCCCCCC4)C5=CC=C(C=C5)Cl
InChI=1SC30H32ClN3O2c13630(35)23141222(131523)282510864235791127(25)3429(3328)26(203234)21161824(31)191721h1220H211H21H3
methyl4(3(4chlorophenyl)6789101112131415decahydrocyclododeca(e)pyrazolo(15a)pyrimidin5yl)benzoate
MFCD12034476
ZINC000035323964
ZINC35323964
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