Vitas-M small molecule compound

diethyl 5-{[(4-butoxyphenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK412771
SMILES CCCCOc1ccc(cc1)C(=O)Nc1sc(c(c1C(=O)OCC)C)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 C22H27NO6S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO6S/c1-5-8-13-29-16-11-9-15(10-12-16)19(24)23-20-17(21(25)27-6-2)14(4)18(30-20)22(26)28-7-3/h9-12H,5-8,13H2,1-4H3,(H,23,24)
InChIKey
NYFFQJNSGBNJNS-UHFFFAOYSA-N
Synonyms

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC
diethyl5(((4butoxyphenyl)carbonyl)amino)3methylthiophene24dicarboxylate
DIETHYL5((4BUTOXYBENZOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
ETHYL2((4BUTOXYPHENYL)CARBONYLAMINO)5(ETHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H27NO6Sc15813291611915(101216)19(24)232017(21(25)2762)14(4)18(3020)22(26)2873h912H5813H214H3(H2324)
MFCD01921937
ZINC000017098466
ZINC17098466

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Available files

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