Vitas-M small molecule compound
4-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 4-tert-butylbenzoate
Catalog ID
STK821726
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1
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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 C29H27NO4S2 MW 517.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO4S2/c1-29(2,3)22-13-11-21(12-14-22)27(32)34-23-15-10-20(16-24(23)33-4)17-25-26(31)30(28(35)36-25)18-19-8-6-5-7-9-19/h5-17H,18H2,1-4H3/b25-17-InChIKey
QBASBKXLPAUMFQ-UQQQWYQISA-NSynonyms
(4((Z)(3benzyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenyl)4tertbutylbenzoate
4((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)OC
COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC29H27NO4S2c129(23)22131121(121422)27(32)3423151020(1624(23)334)172526(31)30(28(35)3625)18198657919h517H18H214H3b2517
MFCD03462973
ZINC000026965802
ZINC26965802
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