Vitas-M small molecule compound
2-methoxy-4-{(E)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl (3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Catalog ID
STK394207
SMILES C=CCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OC(=O)C23C[C@@H]4C[C@H](C3)C[C@H](C2)C4)/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 C25H27NO4S2 MW 469.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO4S2/c1-3-6-26-22(27)21(32-24(26)31)11-15-4-5-19(20(10-15)29-2)30-23(28)25-12-16-7-17(13-25)9-18(8-16)14-25/h3-5,10-11,16-18H,1,6-9,12-14H2,2H3/b21-11+/t16-,17+,18-,25?InChIKey
GHKCMFOJNHBFAA-CARWZTGPSA-NSynonyms
2methoxy4((E)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)phenyl(3s5s7s)tricyclo(3311~37~)decane1carboxylate
C=CCN1C(=S)SC(=Cc2ccc(c(c2)OC)OC(=O)C23C(C@@H)4C(C@H)(C3)C(C@H)(C2)C4)C1=O
MFCD02627691
ZINC000004177393
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