Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-{[2-(4-oxoquinazolin-3(4H)-yl)ethyl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549467
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCn1cnc2c(c1=O)cccc2)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 C26H24ClN3O6 MW 509.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O6/c1-14-10-15(28-8-9-30-13-29-17-7-5-4-6-16(17)25(30)33)11-20(31)26(14)24(32)21-18(34-2)12-19(35-3)22(27)23(21)36-26/h4-7,11-14,28H,8-10H2,1-3H3/t14-,26+/m1/s1InChIKey
OGIAHBSBFMYDDI-PTFIGZPYSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((2(4oxoquinazolin3(4H)yl)ethyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3(2(4oxoquinazolin3yl)ethylamino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((2(4oxoquinazolin3(4H)yl)ethyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253436
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCn1cnc2c(c1=O)cccc2)Cl
InChI=1SC26H24ClN3O6c1141015(288930132917754616(17)25(30)33)1120(31)26(14)24(32)2118(342)1219(353)22(27)23(21)3626h47111428H810H213H3t1426+m1s1
ZINC000604405240
ZINC604405240
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