Vitas-M small molecule compound
5-{[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]amino}-2,3-dihydrophthalazine-1,4-dione
Catalog ID
STL551343
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1cccc2c1c(=O)[nH][nH]c2=O)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 C24H20ClN3O7 MW 497.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O7/c1-10-7-11(26-13-6-4-5-12-17(13)23(32)28-27-22(12)31)8-16(29)24(10)21(30)18-14(33-2)9-15(34-3)19(25)20(18)35-24/h4-6,8-10,26H,7H2,1-3H3,(H,27,31)(H,28,32)/t10-,24+/m1/s1InChIKey
KRAGJZWNPPGTSY-ZZDSUILFSA-NSynonyms
127253477
5(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)23dihydrophthalazine14dione
5(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)23dihydrophthalazine14dione
5(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)23dihydrophthalazine14dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1cccc2c1c(=O)(nH)(nH)c2=O)Cl
InChI=1SC24H20ClN3O7c110711(26136451217(13)23(32)282722(12)31)816(29)24(10)21(30)1814(332)915(343)19(25)20(18)3524h4681026H7H213H3(H2731)(H2832)t1024+m1s1
ZINC000604405125
ZINC604405125
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