Vitas-M small molecule compound

ethyl 4,5-dimethyl-2-{[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]amino}thiophene-3-carboxylate

Catalog ID
STK775394
SMILES CCOC(=O)c1c(NC(=O)CCCn2ncc(c2)[N+](=O)[O-])sc(c1C)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 C16H20N4O5S MW 380.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O5S/c1-4-25-16(22)14-10(2)11(3)26-15(14)18-13(21)6-5-7-19-9-12(8-17-19)20(23)24/h8-9H,4-7H2,1-3H3,(H,18,21)
InChIKey
PORZCIYZIBPBIL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C=C(C=N2)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)CCCn2ncc(c2)(N+)(=O)(O))sc(c1C)C
ethyl45dimethyl2((4(4nitro1Hpyrazol1yl)butanoyl)amino)thiophene3carboxylate
ETHYL45DIMETHYL2(4(4NITROPYRAZOL1YL)BUTANOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC16H20N4O5Sc142516(22)1410(2)11(3)2615(14)1813(21)65719912(81719)20(23)24h89H47H213H3(H1821)
MFCD05257225
ZINC000004623097
ZINC04623097
ZINC4623097

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Available files

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