Vitas-M small molecule compound
propan-2-yl 5-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-4-carbamoyl-3-methylthiophene-2-carboxylate
Catalog ID
STK428334
SMILES CC(OC(=O)c1sc(c(c1C)C(=O)N)NC(=O)/C=C/c1ccc(cc1)C(C)(C)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 C23H28N2O4S MW 428.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O4S/c1-13(2)29-22(28)19-14(3)18(20(24)27)21(30-19)25-17(26)12-9-15-7-10-16(11-8-15)23(4,5)6/h7-13H,1-6H3,(H2,24,27)(H,25,26)/b12-9+InChIKey
STICVNGPCDJXQI-FMIVXFBMSA-NSynonyms
5704-62-15704621
CC(OC(=O)c1sc(c(c1C)C(=O)N)NC(=O)C=Cc1ccc(cc1)C(C)(C)C)C
CC1=C(SC(=C1C(=O)N)NC(=O)C=CC2=CC=C(C=C2)C(C)(C)C)C(=O)OC(C)C
InChI=1SC23H28N2O4Sc113(2)2922(28)1914(3)18(20(24)27)21(3019)2517(26)1291571016(11815)23(45)6h713H16H3(H22427)(H2526)b129+
ISOPROPYL4(AMINOCARBONYL)5((3(4TERTBUTYLPHENYL)ACRYLOYL)AMINO)3METHYL2THIOPHENECARBOXYLATE
METHYLETHYL5((2E)3(4(TERTBUTYL)PHENYL)PROP2ENOYLAMINO)4CARBAMOYL3METHYLTHIOPHENE2CARBOXYLATE
MFCD01342898
propan2yl5(((2E)3(4tertbutylphenyl)prop2enoyl)amino)4carbamoyl3methylthiophene2carboxylate
PROPAN2YL5(((E)3(4TERTBUTYLPHENYL)PROP2ENOYL)AMINO)4CARBAMOYL3METHYLTHIOPHENE2CARBOXYLATE
ZINC000000995679
ZINC00995679
ZINC995679
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.