Vitas-M small molecule compound

4-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

Catalog ID
STK155241
SMILES C=CCN1C(=O)S/C(=C/c2ccc(cc2)C(=O)O)/C1=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 C14H11NO4S MW 289.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11NO4S/c1-2-7-15-12(16)11(20-14(15)19)8-9-3-5-10(6-4-9)13(17)18/h2-6,8H,1,7H2,(H,17,18)/b11-8+
InChIKey
GXSXRZHYMCEPNV-DHZHZOJOSA-N
Synonyms

4((E)(24DIOXO3(PROP2EN1YL)13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
4((E)(24DIOXO3PROP2ENYL13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
C=CCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)SC1=O
C=CCN1C(=O)SC(=Cc2ccc(cc2)C(=O)O)C1=O
InChI=1SC14H11NO4Sc1271512(16)11(2014(15)19)893510(649)13(17)18h268H17H2(H1718)b118+
MFCD03994013
ZINC000012343680
ZINC12343680

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Available files

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