Vitas-M small molecule compound

ethyl 4-(4-butylphenyl)-5-methyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)amino]thiophene-3-carboxylate

Catalog ID
STK423324
SMILES CCCCc1ccc(cc1)c1c(C)sc(c1C(=O)OCC)NC(=O)c1csc2c1CCCC2

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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 C27H31NO3S2 MW 481.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO3S2/c1-4-6-9-18-12-14-19(15-13-18)23-17(3)33-26(24(23)27(30)31-5-2)28-25(29)21-16-32-22-11-8-7-10-20(21)22/h12-16H,4-11H2,1-3H3,(H,28,29)
InChIKey
OJVVXXBOKKVFQU-UHFFFAOYSA-N
Synonyms

CCCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=CSC4=C3CCCC4)C
ethyl4(4butylphenyl)5methyl2((4567tetrahydro1benzothiophen3ylcarbonyl)amino)thiophene3carboxylate
ethyl4(4butylphenyl)5methyl2(4567tetrahydro1benzothiophene3carbonylamino)thiophene3carboxylate
InChI=1SC27H31NO3S2c146918121419(151318)2317(3)3326(24(23)27(30)3152)2825(29)2116322211871020(21)22h1216H411H213H3(H2829)
MFCD02245115
ZINC000002107758
ZINC02107758
ZINC2107758

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.