Vitas-M small molecule compound
(2S,3R,10bS)-3-[(3,4-dimethoxyphenyl)carbonyl]-2-(thiophen-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK530745
SMILES N#CC1(C#N)[C@@H](c2cscc2)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)c1ccc(c(c1)OC)OC
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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 C27H21N3O3S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O3S/c1-32-21-8-7-18(13-22(21)33-2)25(31)24-23(19-10-12-34-14-19)27(15-28,16-29)26-20-6-4-3-5-17(20)9-11-30(24)26/h3-14,23-24,26H,1-2H3/t23-,24+,26-/m0/s1InChIKey
MPFSSBMQXKDEIB-GSLIJJQTSA-NSynonyms
(2S3R10bS)3((34dimethoxyphenyl)carbonyl)2(thiophen3yl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2S3R10bS)3(34dimethoxybenzoyl)2(thiophen3yl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2S3R10BS)3(34DIMETHOXYBENZOYL)2THIOPHEN3YL310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE11DICARBONITRILE
COC1=C(C=C(C=C1)C(=O)C2C(C(C3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=CSC=C5)OC
InChI=1SC27H21N3O3Sc132218718(1322(21)332)25(31)2423(191012341419)27(15281629)2620643517(20)91130(24)26h314232426H12H3t2324+26m0s1
N#CC1(C#N)(C@@H)(c2cscc2)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)c1ccc(c(c1)OC)OC
ZINC000013778336
ZINC13778336
Check stock
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