Vitas-M small molecule compound

(1'R,2'R)-2'-(4-fluorophenyl)-1'-[(4-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

Catalog ID
STL040561
SMILES Fc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccc(cc2)[N+](=O)[O-])N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

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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 C33H21FN2O5 MW 544.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H21FN2O5/c34-22-14-9-20(10-15-22)28-29(30(37)21-11-16-23(17-12-21)36(40)41)35-26-8-4-1-5-19(26)13-18-27(35)33(28)31(38)24-6-2-3-7-25(24)32(33)39/h1-18,27-29H/t27?,28-,29+/m0/s1
InChIKey
ABEXFCACSIEGCN-CVWZLOPKSA-N
Synonyms
1216946-39-2
(1R2R)2(4fluorophenyl)1((4nitrophenyl)carbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(4fluorophenyl)1(4nitrobenzoyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(4fluorophenyl)1(4nitrobenzoyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
1216946392
C1=CC=C2C(=C1)C=CC3N2C(C(C34C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)F)C(=O)C7=CC=C(C=C7)(N+)(=O)(O)
Fc1ccc(cc1)(C@H)1(C@H)(C(=O)c2ccc(cc2)(N+)(=O)(O))N2C((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
Fc1ccc(cc1)(C@H)1(C@H)(C(=O)c2ccc(cc2)(N+)(=O)(O))N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
InChI=1SC33H21FN2O5c342214920(101522)2829(30(37)21111623(171221)36(40)41)3526841519(26)131827(35)33(28)31(38)24623725(24)32(33)39h1182729Ht27?2829+m0s1
ZINC000100969691
ZINC000100969695

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Available files

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