Vitas-M small molecule compound
3-(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]amino}phenyl)propanoic acid
Catalog ID
STL549293
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc(cc1)CCC(=O)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 C25H24ClNO7 MW 485.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClNO7/c1-13-10-16(27-15-7-4-14(5-8-15)6-9-20(29)30)11-19(28)25(13)24(31)21-17(32-2)12-18(33-3)22(26)23(21)34-25/h4-5,7-8,11-13,27H,6,9-10H2,1-3H3,(H,29,30)/t13-,25+/m1/s1InChIKey
RZNZWPSKKHVMOB-SHZVTRLKSA-NSynonyms
125429917
3(4(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)phenyl)propanoicacid
3(4(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)phenyl)propanoicacid
3(4(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)phenyl)propanoicacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc(cc1)CCC(=O)O)Cl
InChI=1SC25H24ClNO7c1131016(27157414(5815)6920(29)30)1119(28)25(13)24(31)2117(322)1218(333)22(26)23(21)3425h4578111327H6910H213H3(H2930)t1325+m1s1
ZINC000524731304
ZINC524731304
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