Vitas-M small molecule compound

ethyl 4-(4-tert-butylphenyl)-2-[(3-methylbutanoyl)amino]thiophene-3-carboxylate

Catalog ID
STK429293
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)C(C)(C)C)NC(=O)CC(C)C

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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 C22H29NO3S MW 387.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO3S/c1-7-26-21(25)19-17(13-27-20(19)23-18(24)12-14(2)3)15-8-10-16(11-9-15)22(4,5)6/h8-11,13-14H,7,12H2,1-6H3,(H,23,24)
InChIKey
XGGMONPRGPCGAW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CC(C)C
ETHYL4(4(TERTBUTYL)PHENYL)2(3METHYLBUTANOYLAMINO)THIOPHENE3CARBOXYLATE
ethyl4(4tertbutylphenyl)2((3methylbutanoyl)amino)thiophene3carboxylate
ETHYL4(4TERTBUTYLPHENYL)2(3METHYLBUTANOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H29NO3Sc172621(25)1917(132720(19)2318(24)1214(2)3)1581016(11915)22(45)6h8111314H712H216H3(H2324)
MFCD02244807
ZINC000002769630
ZINC02769630
ZINC2769630

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Available files

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