Vitas-M small molecule compound

4-({2-iodo-4-[(Z)-{4-oxo-3-[(phenylcarbonyl)amino]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenoxy}methyl)benzoic acid

Catalog ID
STK281913
SMILES S=C1S/C(=C\c2ccc(c(c2)I)OCc2ccc(cc2)C(=O)O)/C(=O)N1NC(=O)c1ccccc1

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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 C25H17IN2O5S2 MW 616.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17IN2O5S2/c26-19-12-16(8-11-20(19)33-14-15-6-9-18(10-7-15)24(31)32)13-21-23(30)28(25(34)35-21)27-22(29)17-4-2-1-3-5-17/h1-13H,14H2,(H,27,29)(H,31,32)/b21-13-
InChIKey
CDFIFEFCHCKAPT-BKUYFWCQSA-N
Synonyms

4((2IODO4((Z)(4OXO3((PHENYLCARBONYL)AMINO)2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4((Z)(3BENZAMIDO4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2IODOPHENOXY)METHYL)BENZOICACID
C1=CC=C(C=C1)C(=O)NN2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)I)SC2=S
InChI=1SC25H17IN2O5S2c26191216(81120(19)3314156918(10715)24(31)32)132123(30)28(25(34)3521)2722(29)174213517h113H14H2(H2729)(H3132)b2113
MFCD03614118
S=C1SC(=Cc2ccc(c(c2)I)OCc2ccc(cc2)C(=O)O)C(=O)N1NC(=O)c1ccccc1
ZINC000097962109
ZINC97962109

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Available files

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