Vitas-M small molecule compound

benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK007378
SMILES COc1ccc(c(c1)OC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1

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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 C28H25N5O4 MW 495.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O4/c1-35-19-8-9-21(24(12-19)36-2)25-23-14-33(27(34)37-15-18-6-4-3-5-7-18)11-10-20(23)22(13-29)26(32)28(25,16-30)17-31/h3-10,12,23,25H,11,14-15,32H2,1-2H3/t23-,25+/m0/s1
InChIKey
PIYXUFYPKBDAEV-UKILVPOCSA-N
Synonyms
303980-24-7
(8R8aR)benzyl6amino577tricyano8(24dimethoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
303980247
benzyl(8R8aR)6amino577tricyano8(24dimethoxyphenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8R8aR)6amino577tricyano8(24dimethoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
COC1=CC(=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4)OC
COc1ccc(c(c1)OC)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1
InChI=1SC28H25N5O4c135198921(24(1219)362)25231433(27(34)3715186435718)111020(23)22(1329)26(32)28(251630)1731h310122325H11141532H212H3t2325+m0s1
STK007378
ZINC000019799057
ZINC19799057

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Available files

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