Vitas-M small molecule compound
3-methyl-4-{5-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK177881
SMILES S=C1NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2C)C(=O)O)/S1
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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 C16H11NO4S2 MW 345.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11NO4S2/c1-8-6-9(15(19)20)2-4-11(8)12-5-3-10(21-12)7-13-14(18)17-16(22)23-13/h2-7H,1H3,(H,19,20)(H,17,18,22)/b13-7+InChIKey
OYNKFXBZEGBQQM-NTUHNPAUSA-NSynonyms
3METHYL4(5((4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)(2FURYL))BENZOICACID
3METHYL4(5((E)(4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
3METHYL4(5((E)(4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=S)S3
InChI=1SC16H11NO4S2c1869(15(19)20)2411(8)125310(2112)71314(18)1716(22)2313h27H1H3(H1920)(H171822)b137+
MFCD06250173
S=C1NC(=O)C(=Cc2ccc(o2)c2ccc(cc2C)C(=O)O)S1
ZINC000001180460
ZINC1180460
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