Vitas-M small molecule compound

5-(5-{(E)-[3-(1,3-benzodioxol-5-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzene-1,3-dicarboxylic acid

Catalog ID
STK112390
SMILES OC(=O)c1cc(cc(c1)C(=O)O)c1ccc(o1)/C=C\1/SC(=S)N(C1=O)c1ccc2c(c1)OCO2

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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 C23H13NO8S2 MW 495.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13NO8S2/c25-20-19(34-23(33)24(20)14-1-3-17-18(8-14)31-10-30-17)9-15-2-4-16(32-15)11-5-12(21(26)27)7-13(6-11)22(28)29/h1-9H,10H2,(H,26,27)(H,28,29)/b19-9+
InChIKey
ULRCIPIKQIAZOG-DJKKODMXSA-N
Synonyms

5(5((E)(3(13BENZODIOXOL5YL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZENE13DICARBOXYLICACID
5(5((E)(3(13BENZODIOXOL5YL)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZENE13DICARBOXYLICACID
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=C(O4)C5=CC(=CC(=C5)C(=O)O)C(=O)O)SC3=S
InChI=1SC23H13NO8S2c252019(3423(33)24(20)14131718(814)31103017)9152416(3215)11512(21(26)27)713(611)22(28)29h19H10H2(H2627)(H2829)b199+
MFCD05149741
OC(=O)c1cc(cc(c1)C(=O)O)c1ccc(o1)C=C1SC(=S)N(C1=O)c1ccc2c(c1)OCO2
ZINC000009233867
ZINC9233867

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Available files

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