Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-(tricyclo[3.3.1.1~3,7~]dec-2-ylamino)-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549324
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NC1C2CC3CC1CC(C2)C3)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 C26H30ClNO5 MW 471.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClNO5/c1-12-4-17(28-23-15-6-13-5-14(8-15)9-16(23)7-13)10-20(29)26(12)25(30)21-18(31-2)11-19(32-3)22(27)24(21)33-26/h10-16,23,28H,4-9H2,1-3H3/t12-,13?,14?,15?,16?,23?,26+/m1/s1InChIKey
KCRSNVZBYZKHTN-GFBAVJBESA-NSynonyms
(1S6R)4((1R3R)adamantan2ylamino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))3(2adamantylamino)7chloro46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4(tricyclo(3311~37~)dec2ylamino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127252988
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NC1C2CC3CC1CC(C2)C3)Cl
InChI=1SC26H30ClNO5c112417(282315613514(815)916(23)713)1020(29)26(12)25(30)2118(312)1119(323)22(27)24(21)3326h10162328H49H213H3t1213?14?15?16?23?26+m1s1
ZINC000604404760
ZINC604404760
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