Vitas-M small molecule compound

(4E)-2-(1,3-dithiolan-2-ylidene)-5-(4-ethoxyphenyl)-3-oxopent-4-enoic acid

Catalog ID
STK993197
SMILES CCOc1ccc(cc1)/C=C/C(=O)C(=C1SCCS1)C(=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 C16H16O4S2 MW 336.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16O4S2/c1-2-20-12-6-3-11(4-7-12)5-8-13(17)14(15(18)19)16-21-9-10-22-16/h3-8H,2,9-10H2,1H3,(H,18,19)/b8-5+
InChIKey
ZEUXBWRZDTXUAY-VMPITWQZSA-N
Synonyms

(4E)2(13dithiolan2ylidene)5(4ethoxyphenyl)3oxopent4enoicacid
(E)2(13DITHIOLAN2YLIDENE)5(4ETHOXYPHENYL)3OXOPENT4ENOICACID
CCOC1=CC=C(C=C1)C=CC(=O)C(=C2SCCS2)C(=O)O
CCOc1ccc(cc1)C=CC(=O)C(=C1SCCS1)C(=O)O
InChI=1SC16H16O4S2c1220126311(4712)5813(17)14(15(18)19)16219102216h38H2910H21H3(H1819)b85+
MFCD06371790
ZINC000003342768
ZINC3342768

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Available files

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