Vitas-M small molecule compound

methyl 2-{[(5-bromothiophen-2-yl)carbonyl]amino}-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate

Catalog ID
STK422891
SMILES COC(=O)c1c(NC(=O)c2ccc(s2)Br)sc(c1c1cc(C)ccc1C)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 C20H18BrNO3S2 MW 464.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO3S2/c1-10-5-6-11(2)13(9-10)16-12(3)26-19(17(16)20(24)25-4)22-18(23)14-7-8-15(21)27-14/h5-9H,1-4H3,(H,22,23)
InChIKey
BVBWRDJTKUAWCF-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)C)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC=C(S3)Br)C
InChI=1SC20H18BrNO3S2c1105611(2)13(910)1612(3)2619(17(16)20(24)254)2218(23)147815(21)2714h59H14H3(H2223)
methyl2(((5bromothiophen2yl)carbonyl)amino)4(25dimethylphenyl)5methylthiophene3carboxylate
METHYL2((5BROMOTHIOPHENE2CARBONYL)AMINO)4(25DIMETHYLPHENYL)5METHYLTHIOPHENE3CARBOXYLATE
METHYL4(25DIMETHYLPHENYL)2((5BROMO(2THIENYL))CARBONYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD02176157
ZINC000002758592
ZINC02758592
ZINC2758592

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Available files

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