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(2R,3R,10bS)-3-[(4-methoxyphenyl)carbonyl]-2-[4-(methylsulfanyl)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile

Catalog ID
STK757037
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@H]2C([C@H]1c1ccc(cc1)SC)(C#N)C#N)cccc3

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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 C29H23N3O2S MW 477.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O2S/c1-34-22-11-7-21(8-12-22)27(33)26-25(20-9-13-23(35-2)14-10-20)29(17-30,18-31)28-24-6-4-3-5-19(24)15-16-32(26)28/h3-16,25-26,28H,1-2H3/t25-,26+,28-/m0/s1
InChIKey
NZRADQQRTGLGJU-REUBFRLUSA-N
Synonyms

(2R3R10bS)3((4methoxyphenyl)carbonyl)2(4(methylsulfanyl)phenyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10BS)3(4METHOXYBENZOYL)2(4METHYLSULFANYLPHENYL)310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE11DICARBONITRILE
(3R10bS)3(4methoxybenzoyl)2(4(methylthio)phenyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
3(4METHOXYBENZOYL)2(4(METHYLSULFANYL)PHENYL)23DIHYDROPYRROLO(21A)ISOQUINOLINE11(10BH)DICARBONITRILE
COC1=CC=C(C=C1)C(=O)C2C(C(C3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=CC=C(C=C5)SC
COc1ccc(cc1)C(=O)(C@@H)1N2C=Cc3c((C@H)2C((C@H)1c1ccc(cc1)SC)(C#N)C#N)cccc3
COc1ccc(cc1)C(=O)(C@@H)1N2C=Cc3c((C@H)2C(C1c1ccc(cc1)SC)(C#N)C#N)cccc3
InChI=1SC29H23N3O2Sc1342211721(81222)27(33)2625(2091323(352)141020)29(17301831)2824643519(24)151632(26)28h316252628H12H3t2526+28m0s1
MFCD13372089
ZINC000035366093
ZINC35366093

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Available files

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