Vitas-M small molecule compound
7-chloro-4'-{[2-(hydroxymethyl)-1H-benzimidazol-6-yl]amino}-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550277
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)Nc1ccc2c(c1)[nH]c(n2)CO)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 C24H22ClN3O6 MW 483.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O6/c1-11-6-13(26-12-4-5-14-15(7-12)28-19(10-29)27-14)8-18(30)24(11)23(31)20-16(32-2)9-17(33-3)21(25)22(20)34-24/h4-5,7-9,11,26,29H,6,10H2,1-3H3,(H,27,28)InChIKey
MLMASELPXMDSNR-UHFFFAOYSA-NSynonyms
(1S6R)7chloro4((2(hydroxymethyl)1Hbenzo(d)imidazol5yl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
132285837
7chloro3((2(hydroxymethyl)3~(H)benzimidazol5yl)amino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
7chloro4((2(hydroxymethyl)1Hbenzimidazol6yl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc2c(c1)nc((nH)2)CO)Cl
InChI=1SC24H22ClN3O6c111613(2612451415(712)2819(1029)2714)818(30)24(11)23(31)2016(322)917(333)21(25)22(20)3424h4579112629H610H213H3(H2728)
MFCD31757495
ZINC000524730534
ZINC000888088695
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