Vitas-M small molecule compound

ethyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK080655
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)sc(c1C)C(=O)Nc1ccccc1OC

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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 C24H23N3O7S MW 497.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O7S/c1-5-34-24(30)19-14(3)20(22(29)25-16-8-6-7-9-18(16)33-4)35-23(19)26-21(28)15-11-10-13(2)17(12-15)27(31)32/h6-12H,5H2,1-4H3,(H,25,29)(H,26,28)
InChIKey
CXJOTKKYNOQTMG-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2OC)NC(=O)C3=CC(=C(C=C3)C)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))C)sc(c1C)C(=O)Nc1ccccc1OC
ETHYL5((2METHOXYPHENYL)CARBAMOYL)4METHYL2(((4METHYL3NITROPHENYL)CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5((2METHOXYPHENYL)CARBAMOYL)4METHYL2((4METHYL3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5(N(2METHOXYPHENYL)CARBAMOYL)4METHYL2((4METHYL3NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC24H23N3O7Sc153424(30)1914(3)20(22(29)2516867918(16)334)3523(19)2621(28)15111013(2)17(1215)27(31)32h612H5H214H3(H2529)(H2628)
MFCD02068224
STK080655
ZINC000002767017
ZINC02767017
ZINC2767017

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Available files

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