Vitas-M small molecule compound
4-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-tert-butylbenzoate
Catalog ID
STK809548
SMILES O=C(c1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)/C=C/1\SC(=S)N(C1=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 C27H29NO3S2 MW 479.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO3S2/c1-27(2,3)20-13-11-19(12-14-20)25(30)31-22-15-9-18(10-16-22)17-23-24(29)28(26(32)33-23)21-7-5-4-6-8-21/h9-17,21H,4-8H2,1-3H3/b23-17-InChIKey
LVNZFGRPJVAONZ-QJOMJCCJSA-NSynonyms
(4((Z)(3CYCLOHEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4TERTBUTYLBENZOATE
4((Z)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)C4CCCCC4
InChI=1SC27H29NO3S2c127(23)20131119(121420)25(30)312215918(101622)172324(29)28(26(32)3323)217546821h91721H48H213H3b2317
MFCD03461401
O=C(c1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C=C1SC(=S)N(C1=O)C1CCCCC1
ZINC000016790832
ZINC16790832
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