Vitas-M small molecule compound

dimethyl 3,3'-[(1,4-dioxobutane-1,4-diyl)diimino]dithiophene-2-carboxylate

Catalog ID
STK420501
SMILES COC(=O)c1sccc1NC(=O)CCC(=O)Nc1ccsc1C(=O)OC

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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 C16H16N2O6S2 MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O6S2/c1-23-15(21)13-9(5-7-25-13)17-11(19)3-4-12(20)18-10-6-8-26-14(10)16(22)24-2/h5-8H,3-4H2,1-2H3,(H,17,19)(H,18,20)
InChIKey
LQWLEGDDRNOSFP-UHFFFAOYSA-N
Synonyms
355000-54-3
355000543
COC(=O)C1=C(C=CS1)NC(=O)CCC(=O)NC2=C(SC=C2)C(=O)OC
dimethyl33((14dioxobutane14diyl)diimino)dithiophene2carboxylate
InChI=1SC16H16N2O6S2c12315(21)139(572513)1711(19)3412(20)1810682614(10)16(22)242h58H34H212H3(H1719)(H1820)
METHYL3((4((2METHOXYCARBONYLTHIOPHEN3YL)AMINO)4OXOBUTANOYL)AMINO)THIOPHENE2CARBOXYLATE
MFCD01835332
ZINC000002747660
ZINC02747660
ZINC2747660

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Available files

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