Vitas-M small molecule compound

methyl 5-benzyl-2-{[(3-iodophenyl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK316850
SMILES COC(=O)c1cc(sc1NC(=O)c1cccc(c1)I)Cc1ccccc1

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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 C20H16INO3S MW 477.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16INO3S/c1-25-20(24)17-12-16(10-13-6-3-2-4-7-13)26-19(17)22-18(23)14-8-5-9-15(21)11-14/h2-9,11-12H,10H2,1H3,(H,22,23)
InChIKey
POJXHCGMKFKHMR-UHFFFAOYSA-N
Synonyms
445013-25-2
445013252
COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)I
InChI=1SC20H16INO3Sc12520(24)171216(10136324713)2619(17)2218(23)1485915(21)1114h291112H10H21H3(H2223)
methyl5benzyl2(((3iodophenyl)carbonyl)amino)thiophene3carboxylate
METHYL5BENZYL2((3IODOBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD03072522
ZINC000002763580
ZINC02763580
ZINC2763580

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Available files

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