Vitas-M small molecule compound

ethyl 4-methyl-2-{[(3-nitrophenyl)carbonyl](prop-2-en-1-yl)amino}-1,3-thiazole-5-carboxylate

Catalog ID
STK314974
SMILES C=CCN(C(=O)c1cccc(c1)[N+](=O)[O-])c1nc(c(s1)C(=O)OCC)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 C17H17N3O5S MW 375.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O5S/c1-4-9-19(15(21)12-7-6-8-13(10-12)20(23)24)17-18-11(3)14(26-17)16(22)25-5-2/h4,6-8,10H,1,5,9H2,2-3H3
InChIKey
VEPFQFMDQQDJBU-UHFFFAOYSA-N
Synonyms
881472-95-3
881472953
C=CCN(C(=O)c1cccc(c1)(N+)(=O)(O))c1nc(c(s1)C(=O)OCC)C
CCOC(=O)C1=C(N=C(S1)N(CC=C)C(=O)C2=CC(=CC=C2)(N+)(=O)(O))C
ethyl4methyl2(((3nitrophenyl)carbonyl)(prop2en1yl)amino)13thiazole5carboxylate
ethyl4methyl2((3nitrobenzoyl)prop2enylamino)13thiazole5carboxylate
InChI=1SC17H17N3O5Sc14919(15(21)1276813(1012)20(23)24)171811(3)14(2617)16(22)2552h46810H159H223H3
MFCD08553910
ZINC000013961263
ZINC13961263

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Available files

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