Vitas-M small molecule compound

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

Catalog ID
STK744890
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)c1cccc(c1)[N+](=O)[O-]

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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 C21H18N2O6S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6S/c1-3-29-21(25)18-17(13-7-9-16(28-2)10-8-13)12-30-20(18)22-19(24)14-5-4-6-15(11-14)23(26)27/h4-12H,3H2,1-2H3,(H,22,24)
InChIKey
PUCRKIDLSMTMGG-UHFFFAOYSA-N
Synonyms
332859-74-2
332859742
4(4METHOXYPHENYL)2(3NITROBENZOYLAMINO)THIOPHENE3CARBOXYLICACIDETHYL
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)c1cccc(c1)(N+)(=O)(O)
ethyl4(4methoxyphenyl)2(((3nitrophenyl)carbonyl)amino)thiophene3carboxylate
ETHYL4(4METHOXYPHENYL)2((3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL4(4METHOXYPHENYL)2((3NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
ethyl4(4methoxyphenyl)2(3nitrobenzamido)thiophene3carboxylate
InChI=1SC21H18N2O6Sc132921(25)1817(137916(282)10813)123020(18)2219(24)1454615(1114)23(26)27h412H3H212H3(H2224)
MFCD01953278
ZINC000001192271
ZINC01192271
ZINC1192271

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Available files

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