Vitas-M small molecule compound
2-ethoxy-4-[(E)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK067867
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)/C=C\1/SC(=S)N(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 C21H21NO5S3 MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5S3/c1-4-22-20(23)19(29-21(22)28)13-15-8-11-17(18(12-15)26-5-2)27-30(24,25)16-9-6-14(3)7-10-16/h6-13H,4-5H2,1-3H3/b19-13+InChIKey
KFERDTOMBGDWJB-CPNJWEJPSA-NSynonyms
6179-95-9(2ETHOXY4((E)(3ETHYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
2ETHOXY4((E)(3ETHYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
6179959
CCN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OCC)SC1=S
CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C=C1SC(=S)N(C1=O)CC
InChI=1SC21H21NO5S3c142220(23)19(2921(22)28)131581117(18(1215)2652)2730(2425)169614(3)71016h613H45H213H3b1913+
MFCD02121221
STK067867
ZINC000013898085
ZINC13898085
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