Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL551322
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCc1nnc2n1cccc2)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 C23H21ClN4O5 MW 468.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O5/c1-12-8-13(25-11-18-27-26-17-6-4-5-7-28(17)18)9-16(29)23(12)22(30)19-14(31-2)10-15(32-3)20(24)21(19)33-23/h4-7,9-10,12,25H,8,11H2,1-3H3/t12-,23+/m1/s1InChIKey
HVYKKDAAZVXFPE-SPSFWMDKSA-NSynonyms
(1S6R)4(((124)triazolo(43a)pyridin3ylmethyl)amino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3((124)triazolo(43a)pyridin3ylmethylamino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4(((124)triazolo(43a)pyridin3ylmethyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253235
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCc1nnc2n1cccc2)Cl
InChI=1SC23H21ClN4O5c112813(251118272617645728(17)18)916(29)23(12)22(30)1914(312)1015(323)20(24)21(19)3323h479101225H811H213H3t1223+m1s1
ZINC000604404877
ZINC604404877
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