Vitas-M small molecule compound
methyl (1S,2R,3R)-1-cyano-2-phenyl-3-(phenylcarbonyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate
Catalog ID
STK542009
SMILES COC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2C1c1ccccc1C=C2)C(=O)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 C28H22N2O3 MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O3/c1-33-27(32)28(18-29)23(20-11-4-2-5-12-20)24(25(31)21-13-6-3-7-14-21)30-17-16-19-10-8-9-15-22(19)26(28)30/h2-17,23-24,26H,1H3/t23-,24+,26?,28-/m0/s1InChIKey
ZAPGXAOOUHCFON-KWVLXFMPSA-NSynonyms
956981-43-4(1S2R3R)methyl3benzoyl1cyano2phenyl12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
956981434
COC(=O)(C@@)1(C#N)(C@@H)(c2ccccc2)(C@@H)(N2C1c1ccccc1C=C2)C(=O)c1ccccc1
COC(=O)C1(C(C(N2C1C3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4)C5=CC=CC=C5)C#N
InChI=1SC28H22N2O3c13327(32)28(1829)23(20114251220)24(25(31)21136371421)3017161910891522(19)26(28)30h217232426H1H3t2324+26?28m0s1
methyl(1S2R3R)1cyano2phenyl3(phenylcarbonyl)12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
methyl(1S2R3R)3benzoyl1cyano2phenyl310bdihydro2Hpyrrolo(21a)isoquinoline1carboxylate
MFCD18241955
ZINC000035369283
ZINC000035369285
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