Vitas-M small molecule compound
2-methoxy-6-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzenesulfonate
Catalog ID
STL383030
SMILES C=CCN1C(=S)S/C(=C\c2cccc(c2OS(=O)(=O)c2ccc(cc2)C)OC)/C1=O
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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 C21H19NO5S3 MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5S3/c1-4-12-22-20(23)18(29-21(22)28)13-15-6-5-7-17(26-3)19(15)27-30(24,25)16-10-8-14(2)9-11-16/h4-11,13H,1,12H2,2-3H3/b18-13-InChIKey
OUFGEFAHDZBRTG-AQTBWJFISA-NSynonyms
(2METHOXY6((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
2methoxy6((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)phenyl4methylbenzenesulfonate
C=CCN1C(=S)SC(=Cc2cccc(c2OS(=O)(=O)c2ccc(cc2)C)OC)C1=O
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C=C3C(=O)N(C(=S)S3)CC=C
InChI=1SC21H19NO5S3c14122220(23)18(2921(22)28)131565717(263)19(15)2730(2425)1610814(2)91116h41113H112H223H3b1813
MFCD03141756
ZINC000022276092
ZINC22276092
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