Vitas-M small molecule compound

3-(diphenylmethyl) 1-methyl 1-cyano-2-(4-methoxyphenyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate

Catalog ID
STL048878
SMILES COc1ccc(cc1)C1C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(C1(C#N)C(=O)OC)c1ccccc1C=C2

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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 C36H30N2O5 MW 570.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O5/c1-41-28-19-17-25(18-20-28)30-31(34(39)43-32(26-12-5-3-6-13-26)27-14-7-4-8-15-27)38-22-21-24-11-9-10-16-29(24)33(38)36(30,23-37)35(40)42-2/h3-22,30-33H,1-2H3
InChIKey
QEYSIYPZLGDOJI-UHFFFAOYSA-N
Synonyms

(1S2R3R)3benzhydryl1methyl1cyano2(4methoxyphenyl)12310btetrahydropyrrolo(21a)isoquinoline13dicarboxylate
3(diphenylmethyl)1methyl1cyano2(4methoxyphenyl)12310btetrahydropyrrolo(21a)isoquinoline13dicarboxylate
3OBENZHYDRYL1OMETHYL1CYANO2(4METHOXYPHENYL)310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE13DICARBOXYLATE
COC1=CC=C(C=C1)C2C(N3C=CC4=CC=CC=C4C3C2(C#N)C(=O)OC)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
COc1ccc(cc1)(C@H)1(C@H)(C(=O)OC(c2ccccc2)c2ccccc2)N2C((C@@)1(C#N)C(=O)OC)c1ccccc1C=C2
InChI=1SC36H30N2O5c14128191725(182028)3031(34(39)4332(26125361326)27147481527)38222124119101629(24)33(38)36(302337)35(40)422h3223033H12H3
MFCD05728086
ZINC000227086524
ZINC000245247142

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Available files

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