Vitas-M small molecule compound

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

Catalog ID
STK451347
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2)C(C)(C)C)sc(c1C)C(=O)Nc1ccccc1OC

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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 C26H28N2O5S MW 480.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O5S/c1-15-20(25(31)33-6)24(28-22(29)16-11-13-17(14-12-16)26(2,3)4)34-21(15)23(30)27-18-9-7-8-10-19(18)32-5/h7-14H,1-6H3,(H,27,30)(H,28,29)
InChIKey
VUTPKDBHLHMUHH-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)NC3=CC=CC=C3OC
InChI=1SC26H28N2O5Sc11520(25(31)336)24(2822(29)16111317(141216)26(23)4)3421(15)23(30)27189781019(18)325h714H16H3(H2730)(H2829)
methyl2(((4tertbutylphenyl)carbonyl)amino)5((2methoxyphenyl)carbamoyl)4methylthiophene3carboxylate
METHYL2((4(TERTBUTYL)PHENYL)CARBONYLAMINO)5(N(2METHOXYPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((4TERTBUTYLBENZOYL)AMINO)5((2METHOXYANILINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
METHYL2((4TERTBUTYLBENZOYL)AMINO)5((2METHOXYPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD02606474
ZINC000002105457
ZINC02105457
ZINC2105457

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Available files

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