Vitas-M small molecule compound
2-methoxy-4-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-tert-butylbenzoate
Catalog ID
STK701660
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)/C=C/1\SC(=S)N(C1=O)CC1CCCO1
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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 C27H29NO5S2 MW 511.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5S2/c1-27(2,3)19-10-8-18(9-11-19)25(30)33-21-12-7-17(14-22(21)31-4)15-23-24(29)28(26(34)35-23)16-20-6-5-13-32-20/h7-12,14-15,20H,5-6,13,16H2,1-4H3/b23-15-InChIKey
XOLQCCNDBURUIZ-HAHDFKILSA-NSynonyms
(2METHOXY4((Z)(4OXO3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4TERTBUTYLBENZOATE
(E)2methoxy4((4oxo3((tetrahydrofuran2yl)methyl)2thioxothiazolidin5ylidene)methyl)phenyl4(tertbutyl)benzoate
2methoxy4((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4CCCO4)OC
InChI=1SC27H29NO5S2c127(23)1910818(91119)25(30)332112717(1422(21)314)152324(29)28(26(34)3523)162065133220h712141520H561316H214H3b2315
MFCD03461569
ZINC000026687024
ZINC000026687028
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