Vitas-M small molecule compound

4-chloro-3-(5-{(E)-[3-(1-methoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STK155268
SMILES CC(C(=O)OC)N1C(=O)/C(=C\c2ccc(o2)c2cc(ccc2Cl)C(=O)O)/SC1=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 C19H14ClNO7S MW 435.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClNO7S/c1-9(18(25)27-2)21-16(22)15(29-19(21)26)8-11-4-6-14(28-11)12-7-10(17(23)24)3-5-13(12)20/h3-9H,1-2H3,(H,23,24)/b15-8+
InChIKey
IKXPWFSYUOHBIK-OVCLIPMQSA-N
Synonyms

4CHLORO3(5((E)(3(1METHOXY1OXOPROPAN2YL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC(C(=O)OC)N1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl)SC1=O
CC(C(=O)OC)N1C(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)SC1=O
InChI=1SC19H14ClNO7Sc19(18(25)272)2116(22)15(2919(21)26)8114614(2811)12710(17(23)24)3513(12)20h39H12H3(H2324)b158+
MFCD03923089
ZINC000009262549
ZINC000009262552

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Available files

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