Vitas-M small molecule compound
3-(5-{(Z)-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
Catalog ID
STK111357
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)/C=C/1\SC(=S)N(C1=O)n1c(C)ccc1C)C
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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 C22H18N2O4S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O4S2/c1-12-4-7-15(21(26)27)10-17(12)18-9-8-16(28-18)11-19-20(25)24(22(29)30-19)23-13(2)5-6-14(23)3/h4-11H,1-3H3,(H,26,27)/b19-11-InChIKey
KTVFURJHNVKIGS-ODLFYWEKSA-NSynonyms
3(5((Z)(3(25DIMETHYL1HPYRROL1YL)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)4METHYLBENZOICACID
3(5((Z)(3(25DIMETHYLPYRROL1YL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)4METHYLBENZOICACID
CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)N4C(=CC=C4C)C
InChI=1SC22H18N2O4S2c1124715(21(26)27)1017(12)189816(2818)111920(25)24(22(29)3019)2313(2)5614(23)3h411H13H3(H2627)b1911
MFCD05150342
OC(=O)c1ccc(c(c1)c1ccc(o1)C=C1SC(=S)N(C1=O)n1c(C)ccc1C)C
ZINC000009233913
ZINC9233913
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