Vitas-M small molecule compound

2-chloro-4-(5-{(Z)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STK040585
SMILES CCOC(=O)CN1C(=O)S/C(=C\c2ccc(o2)c2ccc(c(c2)Cl)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 C19H14ClNO7S MW 435.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClNO7S/c1-2-27-16(22)9-21-17(23)15(29-19(21)26)8-11-4-6-14(28-11)10-3-5-12(18(24)25)13(20)7-10/h3-8H,2,9H2,1H3,(H,24,25)/b15-8-
InChIKey
XYSBXWHOPFBPGQ-NVNXTCNLSA-N
Synonyms

2CHLORANYL4(5((Z)(3(2ETHOXY2OXIDANYLIDENEETHYL)24BIS(OXIDANYLIDENE)13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2CHLORO4(5((Z)(3(2ETHOXY2KETOETHYL)24DIKETOTHIAZOLIDIN5YLIDENE)METHYL)2FURYL)BENZOICACID
2CHLORO4(5((Z)(3(2ETHOXY2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2CHLORO4(5((Z)(3(2ETHOXY2OXOETHYL)24DIOXO5THIAZOLIDINYLIDENE)METHYL)2FURANYL)BENZOICACID
CCOC(=O)CN1C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)SC1=O
CCOC(=O)CN1C(=O)SC(=Cc2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)C1=O
InChI=1SC19H14ClNO7Sc122716(22)92117(23)15(2919(21)26)8114614(2811)103512(18(24)25)13(20)710h38H29H21H3(H2425)b158
MFCD03226887
STK040585
ZINC000002989338
ZINC2989338

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Available files

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