Vitas-M small molecule compound
4-{(Z)-[3-(2-ethylhexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methyl-1-benzofuran-2-carboxylate
Catalog ID
STK703263
SMILES CCCCC(CN1C(=S)S/C(=C\c2ccc(cc2)OC(=O)c2oc3c(c2C)cccc3)/C1=O)CC
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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 C28H29NO4S2 MW 507.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO4S2/c1-4-6-9-19(5-2)17-29-26(30)24(35-28(29)34)16-20-12-14-21(15-13-20)32-27(31)25-18(3)22-10-7-8-11-23(22)33-25/h7-8,10-16,19H,4-6,9,17H2,1-3H3/b24-16-InChIKey
KBKHPJAZIHYMES-JLPGSUDCSA-NSynonyms
(4((Z)(3(2ETHYLHEXYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3METHYL1BENZOFURAN2CARBOXYLATE
(E)4((3(2ethylhexyl)4oxo2thioxothiazolidin5ylidene)methyl)phenyl3methylbenzofuran2carboxylate
4((Z)(3(2ethylhexyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3methyl1benzofuran2carboxylate
CCCCC(CC)CN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4O3)C)SC1=S
CCCCC(CN1C(=S)SC(=Cc2ccc(cc2)OC(=O)c2oc3c(c2C)cccc3)C1=O)CC
InChI=1SC28H29NO4S2c146919(52)172926(30)24(3528(29)34)1620121421(151320)3227(31)2518(3)2210781123(22)3325h78101619H46917H213H3b2416
MFCD03821802
ZINC000006481432
ZINC000006481581
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