Vitas-M small molecule compound

ethyl 6-amino-5,7,7-tricyano-8-[3-methoxy-4-(pentyloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK541632
SMILES CCCCCOc1ccc(cc1OC)C1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC

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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 C27H31N5O4 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O4/c1-4-6-7-12-36-22-9-8-18(13-23(22)34-3)24-21-15-32(26(33)35-5-2)11-10-19(21)20(14-28)25(31)27(24,16-29)17-30/h8-10,13,21,24H,4-7,11-12,15,31H2,1-3H3
InChIKey
WYPVFVITXWTSNR-UHFFFAOYSA-N
Synonyms
445265-59-8
445265598
CCCCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC)OC
ethyl6amino577tricyano8(3methoxy4(pentyloxy)phenyl)1788atetrahydroisoquinoline2(3H)carboxylate
ethyl6amino577tricyano8(3methoxy4(pentyloxy)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
ethyl6amino577tricyano8(3methoxy4pentoxyphenyl)1388atetrahydroisoquinoline2carboxylate
InChI=1SC27H31N5O4c14671236229818(1323(22)343)24211532(26(33)3552)111019(21)20(1428)25(31)27(241629)1730h810132124H4711121531H213H3
MFCD02950092
ZINC000001776910
ZINC000001776915

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Available files

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