Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-8-(2-chloro-5-nitrophenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK541699
SMILES Clc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccccc1)[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 C27H18ClN3O5 MW 499.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN3O5/c28-18-12-11-17(31(35)36)14-21(18)30-26(33)22-20-13-10-15-6-4-5-9-19(15)29(20)24(23(22)27(30)34)25(32)16-7-2-1-3-8-16/h1-14,20,22-24H/t20-,22-,23-,24+/m1/s1InChIKey
IFNNTLRWUOBOLE-BUZMGHMJSA-NSynonyms
(6aR6bS9aR10S)10benzoyl8(2chloro5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)8(2chloro5nitrophenyl)10(phenylcarbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
C1=CC=C(C=C1)C(=O)C2C3C(C4N2C5=CC=CC=C5C=C4)C(=O)N(C3=O)C6=C(C=CC(=C6)(N+)(=O)(O))Cl
Clc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=Cc2c1cccc2)C(=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC27H18ClN3O5c2818121117(31(35)36)1421(18)3026(33)2220131015645919(15)29(20)24(23(22)27(30)34)25(32)167213816h114202224Ht20222324+m1s1
MFCD18241922
ZINC000009271805
ZINC09271805
ZINC9271805
Check stock
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Check stock on Vitas-MAvailable files
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