Vitas-M small molecule compound

(8R,8aS,11aR)-N-(4-chlorophenyl)-10-(4-fluorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxamide

Catalog ID
STK553032
SMILES Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)Nc2ccc(cc2)Cl)N=Cc2c1cccc2

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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 C26H18ClFN4O3 MW 488.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClFN4O3/c27-15-5-9-17(10-6-15)30-24(33)23-21-20(22-19-4-2-1-3-14(19)13-29-32(22)23)25(34)31(26(21)35)18-11-7-16(28)8-12-18/h1-13,20-23H,(H,30,33)/t20-,21+,22?,23-/m1/s1
InChIKey
MQNFPSZYJIYOGD-HNTVYWHESA-N
Synonyms
1014062-34-0
(8R8aS11aR)N(4chlorophenyl)10(4fluorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxamide
1014062340
C1=CC=C2C3C4C(C(N3N=CC2=C1)C(=O)NC5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)F
Fc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1N((C@H)2C(=O)Nc2ccc(cc2)Cl)N=Cc2c1cccc2
InChI=1SC26H18ClFN4O3c27155917(10615)3024(33)232120(2219421314(19)132932(22)23)25(34)31(26(21)35)1811716(28)81218h1132023H(H3033)t2021+22?23m1s1
MFCD18242689
ZINC000009428585
ZINC000009428586

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Available files

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