Vitas-M small molecule compound
7-chloro-4,6-dimethoxy-6'-methyl-4'-[(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)amino]-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550815
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)NCCSCc1[nH]cnc1C)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 C23H26ClN3O5S MW 492.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3O5S/c1-12-7-14(25-5-6-33-10-15-13(2)26-11-27-15)8-18(28)23(12)22(29)19-16(30-3)9-17(31-4)20(24)21(19)32-23/h8-9,11-12,25H,5-7,10H2,1-4H3,(H,26,27)InChIKey
DCLWKFJZIKPBOK-UHFFFAOYSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((2(((5methyl1Himidazol4yl)methyl)thio)ethyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
132285947
7chloro46dimethoxy5methyl3(2((5methyl1~(H)imidazol4yl)methylsulfanyl)ethylamino)spiro(1benzofuran26cyclohex2ene)13dione
7chloro46dimethoxy6methyl4((2(((4methyl1Himidazol5yl)methyl)sulfanyl)ethyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCSCc1nc(nH)c1C)Cl
InChI=1SC23H26ClN3O5Sc112714(255633101513(2)26112715)818(28)23(12)22(29)1916(303)917(314)20(24)21(19)3223h89111225H5710H214H3(H2627)
MFCD31757791
ZINC000604404533
ZINC000888089029
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