Vitas-M small molecule compound

(1'R,2'R)-7'-chloro-2'-(3-nitrophenyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

Catalog ID
STL048665
SMILES Clc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2ccccc2)[C@@H]([C@@]21C(=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/c34-22-14-15-26-20(17-22)13-16-27-33(31(38)24-11-4-5-12-25(24)32(33)39)28(21-9-6-10-23(18-21)36(40)41)29(35(26)27)30(37)19-7-2-1-3-8-19/h1-18,27-29H/t27?,28-,29+/m0/s1
InChIKey
GNHRCODOBKECND-CVWZLOPKSA-N
Synonyms

(1R2R)1benzoyl7chloro2(3nitrophenyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)1benzoyl7chloro2(3nitrophenyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
(1R2R)7chloro2(3nitrophenyl)1(phenylcarbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
C1=CC=C(C=C1)C(=O)C2C(C3(C4N2C5=C(C=C4)C=C(C=C5)Cl)C(=O)C6=CC=CC=C6C3=O)C7=CC(=CC=C7)(N+)(=O)(O)
Clc1ccc2c(c1)C=CC1N2(C@@H)(C(=O)c2ccccc2)(C@@H)((C@@)21C(=O)c1c(C2=O)cccc1)c1cccc(c1)(N+)(=O)(O)
Clc1ccc2c(c1)C=CC1N2(C@@H)(C(=O)c2ccccc2)(C@@H)(C21C(=O)c1c(C2=O)cccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC33H21ClN2O5c342214152620(1722)13162733(31(38)2411451225(24)32(33)39)28(21961023(1821)36(40)41)29(35(26)27)30(37)197213819h1182729Ht27?2829+m0s1
MFCD18192601
ZINC000001817645
ZINC000102884506

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Available files

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