Vitas-M small molecule compound

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

Catalog ID
STL055451
SMILES O=C([C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccccc1F)C(=O)c1c(C2=O)cccc1)c1ccc(cc1)[N+](=O)[O-]

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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/c34-25-11-5-4-10-24(25)28-29(30(37)20-13-16-21(17-14-20)36(40)41)35-26-12-6-1-7-19(26)15-18-27(35)33(28)31(38)22-8-2-3-9-23(22)32(33)39/h1-18,27-29H/t27?,28-,29+/m0/s1
InChIKey
UDOGKWQOXYVREW-CVWZLOPKSA-N
Synonyms
1216945-10-6
(1R2S)2(2fluorophenyl)1((4nitrophenyl)carbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2S)2(2fluorophenyl)1(4nitrobenzoyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2S)2(2fluorophenyl)1(4nitrobenzoyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
1216945106
C1=CC=C2C(=C1)C=CC3N2C(C(C34C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6F)C(=O)C7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC33H21FN2O5c342511541024(25)2829(30(37)20131621(171420)36(40)41)35261261719(26)151827(35)33(28)31(38)22823923(22)32(33)39h1182729Ht27?2829+m0s1
O=C((C@@H)1N2c3ccccc3C=CC2(C@@)2((C@H)1c1ccccc1F)C(=O)c1c(C2=O)cccc1)c1ccc(cc1)(N+)(=O)(O)
O=C((C@@H)1N2c3ccccc3C=CC2C2((C@H)1c1ccccc1F)C(=O)c1c(C2=O)cccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000001860398
ZINC000100969644

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Available files

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