Vitas-M small molecule compound
methyl 4-[3-(4-chlorophenyl)-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
Catalog ID
STK694857
SMILES COC(=O)c1ccc(cc1)c1nc2n(c3c1CCCCCC3)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 C26H24ClN3O2 MW 445.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O2/c1-32-26(31)19-10-8-18(9-11-19)24-21-6-4-2-3-5-7-23(21)30-25(29-24)22(16-28-30)17-12-14-20(27)15-13-17/h8-16H,2-7H2,1H3InChIKey
ZAVIDBBYBBWRDE-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2=NC3=C(C=NN3C4=C2CCCCCC4)C5=CC=C(C=C5)Cl
InChI=1SC26H24ClN3O2c13226(31)1910818(91119)242164235723(21)3025(2924)22(162830)17121420(27)151317h816H27H21H3
methyl4(3(4chlorophenyl)67891011hexahydrocycloocta(e)pyrazolo(15a)pyrimidin5yl)benzoate
MFCD12035047
ZINC000035326045
ZINC35326045
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