Vitas-M small molecule compound
4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Catalog ID
STK702573
SMILES COc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)/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 C27H21NO4S2 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO4S2/c1-31-22-12-7-19(8-13-22)11-16-25(29)32-23-14-9-20(10-15-23)17-24-26(30)28(27(33)34-24)18-21-5-3-2-4-6-21/h2-17H,18H2,1H3/b16-11+,24-17+InChIKey
YCJQUCRFGHXRPO-DVKBPIKUSA-NSynonyms
(4((E)(3BENZYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)(E)3(4METHOXYPHENYL)PROP2ENOATE
4((E)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl(2E)3(4methoxyphenyl)prop2enoate
COC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4
COc1ccc(cc1)C=CC(=O)Oc1ccc(cc1)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC27H21NO4S2c1312212719(81322)111625(29)322314920(101523)172426(30)28(27(33)3424)18215324621h217H18H21H3b1611+2417+
MFCD03225725
ZINC000016699718
ZINC16699718
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