Vitas-M small molecule compound
(1'R,2'R)-1,3-dioxo-2'-phenyl-1'-(phenylcarbonyl)-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinolin]-9'-yl acetate
Catalog ID
STL537365
SMILES CC(=O)Oc1cccc2c1N1[C@@H](C(=O)c3ccccc3)[C@@H]([C@@]3(C1C=C2)C(=O)c1c(C3=O)cccc1)c1ccccc1
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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 C35H25NO5 MW 539.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H25NO5/c1-21(37)41-27-18-10-15-23-19-20-28-35(33(39)25-16-8-9-17-26(25)34(35)40)29(22-11-4-2-5-12-22)31(36(28)30(23)27)32(38)24-13-6-3-7-14-24/h2-20,28-29,31H,1H3/t28?,29-,31+/m0/s1InChIKey
YXUDLUCABYSHGV-CBOMQKSFSA-NSynonyms
1216946-73-4((1~(R)2~(R))1benzoyl13dioxo2phenylspiro(23~(a)dihydro1~(H)pyrrolo(12a)quinoline32indene)9yl)acetate
(1R2R)13dioxo2phenyl1(phenylcarbonyl)1123tetrahydro3aHspiro(indene23pyrrolo(12a)quinolin)9ylacetate
(1R2R)1benzoyl13dioxo2phenyl1233atetrahydro1Hspiro(indene23pyrrolo(12a)quinolin)9ylacetate
1216946734
16400094
CC(=O)Oc1cccc2c1N1(C@@H)(C(=O)c3ccccc3)(C@@H)(C3(C1C=C2)C(=O)c1c(C3=O)cccc1)c1ccccc1
InChI=1SC35H25NO5c121(37)41271810152319202835(33(39)2516891726(25)34(35)40)29(22114251222)31(36(28)30(23)27)32(38)24136371424h220282931H1H3t28?2931+m0s1
MFCD05670835
ZINC000070687039
ZINC000070687043
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