Vitas-M small molecule compound

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

Catalog ID
STK426498
SMILES CCOC(=O)c1sc(c(c1C)C(=O)N)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 C23H20N2O5S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5S/c1-3-29-23(28)19-12(2)17(20(24)26)22(31-19)25-21(27)18-13-8-4-6-10-15(13)30-16-11-7-5-9-14(16)18/h4-11,18H,3H2,1-2H3,(H2,24,26)(H,25,27)
InChIKey
GRTDOPDVVRZLDF-UHFFFAOYSA-N
Synonyms
354997-49-2
354997492
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)N)C
ETHYL4(AMINOCARBONYL)3METHYL5((9HXANTHEN9YLCARBONYL)AMINO)2THIOPHENECARBOXYLATE
ethyl4carbamoyl3methyl5((9Hxanthen9ylcarbonyl)amino)thiophene2carboxylate
ETHYL4CARBAMOYL3METHYL5(9HXANTHENE9AMIDO)THIOPHENE2CARBOXYLATE
ETHYL4CARBAMOYL3METHYL5(9HXANTHENE9CARBONYLAMINO)THIOPHENE2CARBOXYLATE
InChI=1SC23H20N2O5Sc132923(28)1912(2)17(20(24)26)22(3119)2521(27)18138461015(13)30161175914(16)18h41118H3H212H3(H22426)(H2527)
MFCD01346157
ZINC000000996111
ZINC00996111
ZINC996111

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Available files

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