Vitas-M small molecule compound
3-{[(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}-N'-hydroxybenzenecarboximidamide
Catalog ID
STL550148
SMILES O/N=C(/c1cccc(c1)NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)\N
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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 C23H22ClN3O6 MW 471.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O6/c1-11-7-14(26-13-6-4-5-12(8-13)22(25)27-30)9-17(28)23(11)21(29)18-15(31-2)10-16(32-3)19(24)20(18)33-23/h4-6,8-11,26,30H,7H2,1-3H3,(H2,25,27)/t11-,23+/m1/s1InChIKey
UMIWHABBAHFUHR-BGJPBQGDSA-NSynonyms
(Z)3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)Nhydroxybenzimidamide
127252611
3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)~(N)hydroxybenzenecarboximidamide
3(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)Nhydroxybenzenecarboximidamide
InChI=1SC23H22ClN3O6c111714(261364512(813)22(25)2730)917(28)23(11)21(29)1815(312)1016(323)19(24)20(18)3323h468112630H7H213H3(H22527)t1123+m1s1
ON=C(c1cccc(c1)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)N
ZINC000604405679
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