Vitas-M small molecule compound

ethyl (4Z)-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK168591
SMILES C=CCN1C(=O)/C(=C\c2cccs2)/C(=C1C)C(=O)OCC

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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 C16H17NO3S MW 303.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO3S/c1-4-8-17-11(3)14(16(19)20-5-2)13(15(17)18)10-12-7-6-9-21-12/h4,6-7,9-10H,1,5,8H2,2-3H3/b13-10-
InChIKey
CPPYNMRZZPIAGE-RAXLEYEMSA-N
Synonyms

C=CCN1C(=O)C(=Cc2cccs2)C(=C1C)C(=O)OCC
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=CS2)CC=C)C
ETHYL(4Z)2METHYL5OXO1(PROP2EN1YL)4(THIOPHEN2YLMETHYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL(4Z)2METHYL5OXO1PROP2ENYL4(THIOPHEN2YLMETHYLIDENE)PYRROLE3CARBOXYLATE
InChI=1SC16H17NO3Sc1481711(3)14(16(19)2052)13(15(17)18)10127692112h467910H158H223H3b1310
MFCD00684432
ZINC000012413454
ZINC12413454

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Available files

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