Vitas-M small molecule compound
4-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methyl-1-benzofuran-2-carboxylate
Catalog ID
STK703258
SMILES CC(CN1C(=S)S/C(=C\c2ccc(cc2)OC(=O)c2oc3c(c2C)cccc3)/C1=O)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 C24H21NO4S2 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21NO4S2/c1-14(2)13-25-22(26)20(31-24(25)30)12-16-8-10-17(11-9-16)28-23(27)21-15(3)18-6-4-5-7-19(18)29-21/h4-12,14H,13H2,1-3H3/b20-12-InChIKey
GKGMEKWLVVRWIW-NDENLUEZSA-NSynonyms
(4((Z)(3(2METHYLPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3METHYL1BENZOFURAN2CARBOXYLATE
(E)4((3isobutyl4oxo2thioxothiazolidin5ylidene)methyl)phenyl3methylbenzofuran2carboxylate
4((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3methyl1benzofuran2carboxylate
CC(CN1C(=S)SC(=Cc2ccc(cc2)OC(=O)c2oc3c(c2C)cccc3)C1=O)C
CC1=C(OC2=CC=CC=C12)C(=O)OC3=CC=C(C=C3)C=C4C(=O)N(C(=S)S4)CC(C)C
InChI=1SC24H21NO4S2c114(2)132522(26)20(3124(25)30)121681017(11916)2823(27)2115(3)18645719(18)2921h41214H13H213H3b2012
MFCD06264887
ZINC000002198640
ZINC02198640
ZINC2198640
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