Vitas-M small molecule compound
(2S,6'R)-7-chloro-9'-{3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl}-4,6-dimethoxy-6'-methyl-1',5',6',9'-tetrahydro-3H,8'H-spiro[1-benzofuran-2,7'-[1,2,4]triazolo[5,1-b]quinazoline]-3,8'-dione
Catalog ID
STL549938
SMILES COc1ccc(cc1OCCc1ccc2c(c1)CCO2)C1C2=C(C[C@H]([C@@]3(C2=O)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C)N=c2n1[nH]cn2
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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 C36H33ClN4O8 MW 685.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H33ClN4O8/c1-18-13-22-28(33(42)36(18)34(43)29-26(45-3)16-27(46-4)30(37)32(29)49-36)31(41-35(40-22)38-17-39-41)21-6-8-24(44-2)25(15-21)48-11-9-19-5-7-23-20(14-19)10-12-47-23/h5-8,14-18,31H,9-13H2,1-4H3,(H,38,39,40)/t18-,31?,36+/m1/s1InChIKey
PUUCRYVHVRGFFN-NADHEGBKSA-NSynonyms
(2~(S)6~(R))7chloro9(3(2(23dihydro1benzofuran5yl)ethoxy)4methoxyphenyl)46dimethoxy6methylspiro(1benzofuran274569tetrahydro(124)triazolo(51b)quinazoline)38dione
(2S6R)7chloro9(3(2(23dihydro1benzofuran5yl)ethoxy)4methoxyphenyl)46dimethoxy6methyl1569tetrahydro3H8Hspiro(1benzofuran27(124)triazolo(51b)quinazoline)38dione
135639860
InChI=1SC36H33ClN4O8c118132228(33(42)36(18)34(43)2926(453)1627(464)30(37)32(29)4936)31(4135(4022)38173941)216824(442)25(1521)4811919572320(1419)10124723h58141831H913H214H3(H383940)t1831?36+m1s1
ZINC000824739451
ZINC000824739459
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