Vitas-M small molecule compound

(6aS,6bR,9aS,10R)-8-(2,4-dichlorophenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide

Catalog ID
STK549124
SMILES Clc1ccc(c(c1)Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(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 C27H18Cl2N4O5 MW 549.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18Cl2N4O5/c28-15-6-12-20(18(29)13-15)32-26(35)22-21-11-5-14-3-1-2-4-19(14)31(21)24(23(22)27(32)36)25(34)30-16-7-9-17(10-8-16)33(37)38/h1-13,21-24H,(H,30,34)/t21-,22-,23-,24+/m0/s1
InChIKey
RGBVBOYPRRFCQI-NEWJYFPISA-N
Synonyms
1014060-74-2
(6aS6bR9aS10R)8(24dichlorophenyl)N(4nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
1014060742
C1=CC=C2C(=C1)C=CC3N2C(C4C3C(=O)N(C4=O)C5=C(C=C(C=C5)Cl)Cl)C(=O)NC6=CC=C(C=C6)(N+)(=O)(O)
Clc1ccc(c(c1)Cl)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H18Cl2N4O5c281561220(18(29)1315)3226(35)222111514312419(14)31(21)24(23(22)27(32)36)25(34)30167917(10816)33(37)38h1132124H(H3034)t21222324+m0s1
MFCD18242454
ZINC000100953323
ZINC100953323

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Available files

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