Vitas-M small molecule compound

ethyl 2-{[(4-tert-butylphenyl)carbonyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate

Catalog ID
STK468220
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)C(C)(C)C)sc(c1CC)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 C21H27NO3S MW 373.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO3S/c1-7-16-13(3)26-19(17(16)20(24)25-8-2)22-18(23)14-9-11-15(12-10-14)21(4,5)6/h9-12H,7-8H2,1-6H3,(H,22,23)
InChIKey
ZULOFKXLYGCKBQ-UHFFFAOYSA-N
Synonyms

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C
ethyl2(((4tertbutylphenyl)carbonyl)amino)4ethyl5methylthiophene3carboxylate
ETHYL2((4(TERTBUTYL)PHENYL)CARBONYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((4TERTBUTYLBENZOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H27NO3Sc171613(3)2619(17(16)20(24)2582)2218(23)1491115(121014)21(45)6h912H78H216H3(H2223)
MFCD03366394
ZINC000006123492
ZINC06123492
ZINC6123492

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Available files

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