Vitas-M small molecule compound
(1S,2S,3aR)-7-methoxy-1-[(3-methoxyphenyl)carbonyl]-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK077267
SMILES COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2cccc(c2)OC)[C@H](C1(C#N)C#N)c1ccccc1
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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 C29H23N3O3 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O3/c1-34-22-10-6-9-21(16-22)28(33)27-26(19-7-4-3-5-8-19)29(17-30,18-31)25-14-11-20-15-23(35-2)12-13-24(20)32(25)27/h3-16,25-27H,1-2H3/t25-,26-,27+/m1/s1InChIKey
SBJXEAMVGOAQFZ-PFBJBMPXSA-NSynonyms
(1S2S3AR)7METHOXY1((3METHOXYPHENYL)CARBONYL)2PHENYL12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
(1S2S3aR)7methoxy1(3methoxybenzoyl)2phenyl23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
COC1=CC2=C(C=C1)N3C(C=C2)C(C(C3C(=O)C4=CC(=CC=C4)OC)C5=CC=CC=C5)(C#N)C#N
COc1ccc2c(c1)C=C(C@H)1N2(C@H)(C(=O)c2cccc(c2)OC)(C@H)(C1(C#N)C#N)c1ccccc1
InChI=1SC29H23N3O3c13422106921(1622)28(33)2726(197435819)29(17301831)251411201523(352)121324(20)32(25)27h3162527H12H3t252627+m1s1
STK077267
ZINC000013899483
ZINC13899483
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