Vitas-M small molecule compound
2-{4-[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]piperazin-1-yl}pyridine-3-carbonitrile
Catalog ID
STL552256
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N1CCN(CC1)c1ncccc1C#N)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 C26H25ClN4O5 MW 508.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN4O5/c1-15-11-17(30-7-9-31(10-8-30)25-16(14-28)5-4-6-29-25)12-20(32)26(15)24(33)21-18(34-2)13-19(35-3)22(27)23(21)36-26/h4-6,12-13,15H,7-11H2,1-3H3/t15-,26+/m1/s1InChIKey
ORCJIIHIROIYLV-WZQKQDCOSA-NSynonyms
135640523
2(4((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)piperazin1yl)nicotinonitrile
2(4((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)piperazin1yl)pyridine3carbonitrile
2(4((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)piperazin1yl)pyridine3carbonitrile
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N1CCN(CC1)c1ncccc1C#N)Cl
InChI=1SC26H25ClN4O5c1151117(307931(10830)2516(1428)5462925)1220(32)26(15)24(33)2118(342)1319(353)22(27)23(21)3626h46121315H711H213H3t1526+m1s1
ZINC001547138643
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