Vitas-M small molecule compound

methyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(9H-xanthen-9-ylcarbonyl)amino]thiophene-3-carboxylate

Catalog ID
STK419589
SMILES COC(=O)c1c(sc(c1C)C(=O)Nc1ccccc1OC)NC(=O)C1c2ccccc2Oc2c1cccc2

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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 C29H24N2O6S MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O6S/c1-16-23(29(34)36-3)28(38-25(16)27(33)30-19-12-6-9-15-22(19)35-2)31-26(32)24-17-10-4-7-13-20(17)37-21-14-8-5-11-18(21)24/h4-15,24H,1-3H3,(H,30,33)(H,31,32)
InChIKey
WKENJPADKOHPGT-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)NC5=CC=CC=C5OC
InChI=1SC29H24N2O6Sc11623(29(34)363)28(3825(16)27(33)301912691522(19)352)3126(32)241710471320(17)372114851118(21)24h41524H13H3(H3033)(H3132)
METHYL5((2METHOXYANILINO)CARBONYL)4METHYL2((9HXANTHEN9YLCARBONYL)AMINO)3THIOPHENECARBOXYLATE
methyl5((2methoxyphenyl)carbamoyl)4methyl2((9Hxanthen9ylcarbonyl)amino)thiophene3carboxylate
METHYL5((2METHOXYPHENYL)CARBAMOYL)4METHYL2(9HXANTHENE9CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD02372260
ZINC000000659439
ZINC00659439
ZINC659439

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Available files

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