Vitas-M small molecule compound

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

Catalog ID
STK451636
SMILES CCCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)c1ccc(c(c1)[N+](=O)[O-])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 C23H22N2O6S MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6S/c1-4-11-31-23(27)20-18(15-7-9-17(30-3)10-8-15)13-32-22(20)24-21(26)16-6-5-14(2)19(12-16)25(28)29/h5-10,12-13H,4,11H2,1-3H3,(H,24,26)
InChIKey
JKSVLZVPBRFWHM-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3=CC(=C(C=C3)C)(N+)(=O)(O)
CCCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC23H22N2O6Sc14113123(27)2018(157917(303)10815)133222(20)2421(26)166514(2)19(1216)25(28)29h5101213H411H213H3(H2426)
MFCD03070903
propyl4(4methoxyphenyl)2(((4methyl3nitrophenyl)carbonyl)amino)thiophene3carboxylate
PROPYL4(4METHOXYPHENYL)2((4METHYL3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
PROPYL4(4METHOXYPHENYL)2((4METHYL3NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
ZINC000002760079
ZINC02760079
ZINC2760079

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Available files

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