Vitas-M small molecule compound
7-chloro-4,6-dimethoxy-6'-methyl-4'-({4-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl}amino)-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550337
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)Nc1ccc(cc1)c1n[nH]c(n1)Cn1cncn1)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 C27H24ClN7O5 MW 561.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN7O5/c1-14-8-17(9-20(36)27(14)25(37)22-18(38-2)10-19(39-3)23(28)24(22)40-27)31-16-6-4-15(5-7-16)26-32-21(33-34-26)11-35-13-29-12-30-35/h4-7,9-10,12-14,31H,8,11H2,1-3H3,(H,32,33,34)InChIKey
QNFHPTQHXMPSHB-UHFFFAOYSA-NSynonyms
(1S6R)4((4(3((1H124triazol1yl)methyl)1H124triazol5yl)phenyl)amino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
132285984
7chloro46dimethoxy5methyl3(4(5(124triazol1ylmethyl)1~(H)124triazol3yl)anilino)spiro(1benzofuran26cyclohex2ene)13dione
7chloro46dimethoxy6methyl4((4(5(1H124triazol1ylmethyl)1H124triazol3yl)phenyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc(cc1)c1(nH)nc(n1)Cn1cncn1)Cl
InChI=1SC27H24ClN7O5c114817(920(36)27(14)25(37)2218(382)1019(393)23(28)24(22)4027)31166415(5716)263221(333426)11351329123035h47910121431H811H213H3(H323334)
MFCD31757532
ZINC000604405292
ZINC000888089245
Check stock
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