Vitas-M small molecule compound
(1'R,2'R)-1'-acetyl-2'-(2,5-dimethoxyphenyl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinolin]-9'-yl acetate
Catalog ID
STL537143
SMILES COc1ccc(c(c1)[C@H]1[C@H](C(=O)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2c(ccc1)OC(=O)C)OC
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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 C32H27NO7 MW 537.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27NO7/c1-17(34)28-27(23-16-20(38-3)13-14-24(23)39-4)32(30(36)21-9-5-6-10-22(21)31(32)37)26-15-12-19-8-7-11-25(40-18(2)35)29(19)33(26)28/h5-16,26-28H,1-4H3/t26?,27-,28-/m0/s1InChIKey
KEZTYXUHQZMREF-UWDVWBIHSA-NSynonyms
1216945-12-8((1~(R)2~(R))1acetyl2(25dimethoxyphenyl)13dioxospiro(23~(a)dihydro1~(H)pyrrolo(12a)quinoline32indene)9yl)acetate
(1R2R)1acetyl2(25dimethoxyphenyl)13dioxo1123tetrahydro3aHspiro(indene23pyrrolo(12a)quinolin)9ylacetate
(1R2R)1acetyl2(25dimethoxyphenyl)13dioxo1233atetrahydro1Hspiro(indene23pyrrolo(12a)quinolin)9ylacetate
1216945128
16400998
COc1ccc(c(c1)(C@H)1(C@H)(C(=O)C)N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2c(ccc1)OC(=O)C)OC
InChI=1SC32H27NO7c117(34)2827(231620(383)131424(23)394)32(30(36)219561022(21)31(32)37)26151219871125(4018(2)35)29(19)33(26)28h5162628H14H3t26?2728m0s1
MFCD05672371
ZINC000070687961
ZINC000070687965
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