Vitas-M small molecule compound

1'-acetyl-2'-(2-fluorophenyl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinolin]-9'-yl acetate

Catalog ID
STL235624
SMILES CC(=O)Oc1cccc2c1N1C(C(=O)C)C(C3(C1C=C2)C(=O)c1c(C3=O)cccc1)c1ccccc1F

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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 C30H22FNO5 MW 495.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22FNO5/c1-16(33)26-25(21-11-5-6-12-22(21)31)30(28(35)19-9-3-4-10-20(19)29(30)36)24-15-14-18-8-7-13-23(37-17(2)34)27(18)32(24)26/h3-15,24-26H,1-2H3
InChIKey
FONIOBIYPHOURF-UHFFFAOYSA-N
Synonyms

(1ACETYL2(2FLUOROPHENYL)13DIOXOSPIRO(23ADIHYDRO1HPYRROLO(12A)QUINOLINE32INDENE)9YL)ACETATE
(1R2S)1acetyl2(2fluorophenyl)13dioxo1233atetrahydro1Hspiro(indene23pyrrolo(12a)quinolin)9ylacetate
1acetyl2(2fluorophenyl)13dioxo1123tetrahydro3aHspiro(indene23pyrrolo(12a)quinolin)9ylacetate
CC(=O)C1C(C2(C3N1C4=C(C=CC=C4OC(=O)C)C=C3)C(=O)C5=CC=CC=C5C2=O)C6=CC=CC=C6F
CC(=O)Oc1cccc2c1N1(C@@H)(C(=O)C)(C@@H)(C3(C1C=C2)C(=O)c1c(C3=O)cccc1)c1ccccc1F
InChI=1SC30H22FNO5c116(33)2625(2111561222(21)31)30(28(35)199341020(19)29(30)36)24151418871323(3717(2)34)27(18)32(24)26h3152426H12H3
MFCD07203776
ZINC000009087345
ZINC000229995101

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Available files

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