Vitas-M small molecule compound

methyl 4-[4-(butan-2-yl)phenyl]-2-[(cyclopropylcarbonyl)amino]-5-methylthiophene-3-carboxylate

Catalog ID
STK451640
SMILES CCC(c1ccc(cc1)c1c(C)sc(c1C(=O)OC)NC(=O)C1CC1)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 C21H25NO3S MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3S/c1-5-12(2)14-6-8-15(9-7-14)17-13(3)26-20(18(17)21(24)25-4)22-19(23)16-10-11-16/h6-9,12,16H,5,10-11H2,1-4H3,(H,22,23)
InChIKey
YFRBGFAYTIDLQE-UHFFFAOYSA-N
Synonyms

CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3CC3)C
InChI=1SC21H25NO3Sc1512(2)146815(9714)1713(3)2620(18(17)21(24)254)2219(23)16101116h691216H51011H214H3(H2223)
METHYL2(CYCLOPROPYLCARBONYLAMINO)5METHYL4(4(METHYLPROPYL)PHENYL)THIOPHENE3CARBOXYLATE
methyl4(4(butan2yl)phenyl)2((cyclopropylcarbonyl)amino)5methylthiophene3carboxylate
METHYL4(4BUTAN2YLPHENYL)2(CYCLOPROPANECARBONYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
METHYL4(4SECBUTYLPHENYL)2((CYCLOPROPYLCARBONYL)AMINO)5METHYL3THIOPHENECARBOXYLATE
MFCD03073049
ZINC000000689143
ZINC000000689144

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Available files

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