Vitas-M small molecule compound

butyl 2-{[(2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL021036
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2cccc3c2cccc3)/C#N)sc2c1CCCC2

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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 C27H26N2O3S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3S/c1-2-3-15-32-27(31)24-22-13-6-7-14-23(22)33-26(24)29-25(30)20(17-28)16-19-11-8-10-18-9-4-5-12-21(18)19/h4-5,8-12,16H,2-3,6-7,13-15H2,1H3,(H,29,30)/b20-16+
InChIKey
VIJNWSVQMHFKMS-CAPFRKAQSA-N
Synonyms
499211-90-4
(E)butyl2(2cyano3(naphthalen1yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
499211904
butyl2(((2E)2cyano3(naphthalen1yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3naphthalen1ylprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=CC4=CC=CC=C43)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2cccc3c2cccc3)C#N)sc2c1CCCC2
InChI=1SC27H26N2O3Sc123153227(31)242213671423(22)3326(24)2925(30)20(1728)161911810189451221(18)19h4581216H23671315H21H3(H2930)b2016+
MFCD03303893
ZINC000002357168
ZINC02357168
ZINC2357168

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Available files

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