Vitas-M small molecule compound

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

Catalog ID
STL053266
SMILES O=C([C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccccc1Cl)C(=O)c1c(C2=O)cccc1)c1cccc(c1)[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 C33H21ClN2O5 MW 560.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H21ClN2O5/c34-25-14-5-4-13-24(25)28-29(30(37)20-9-7-10-21(18-20)36(40)41)35-26-15-6-1-8-19(26)16-17-27(35)33(28)31(38)22-11-2-3-12-23(22)32(33)39/h1-18,27-29H/t27?,28-,29+/m0/s1
InChIKey
OTNMJOFFHPGHSO-CVWZLOPKSA-N
Synonyms

(1R2S)2(2chlorophenyl)1((3nitrophenyl)carbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2S)2(2chlorophenyl)1(3nitrobenzoyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2S)2(2chlorophenyl)1(3nitrobenzoyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
C1=CC=C2C(=C1)C=CC3N2C(C(C34C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6Cl)C(=O)C7=CC(=CC=C7)(N+)(=O)(O)
InChI=1SC33H21ClN2O5c342514541324(25)2829(30(37)20971021(1820)36(40)41)35261561819(26)161727(35)33(28)31(38)2211231223(22)32(33)39h1182729Ht27?2829+m0s1
MFCD18192721
O=C((C@@H)1N2c3ccccc3C=CC2(C@@)2((C@H)1c1ccccc1Cl)C(=O)c1c(C2=O)cccc1)c1cccc(c1)(N+)(=O)(O)
O=C((C@@H)1N2c3ccccc3C=CC2C2((C@H)1c1ccccc1Cl)C(=O)c1c(C2=O)cccc1)c1cccc(c1)(N+)(=O)(O)
ZINC000102893121
ZINC000102893124

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Available files

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