Vitas-M small molecule compound
3-{(Z)-[5-imino-7-oxo-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 4-methylbenzenesulfonate
Catalog ID
STK099167
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
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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 C26H20N4O5S2 MW 532.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O5S2/c1-17-10-12-21(13-11-17)37(32,33)35-20-9-5-6-18(14-20)15-22-24(27)30-26(28-25(22)31)36-23(29-30)16-34-19-7-3-2-4-8-19/h2-15,27H,16H2,1H3/b22-15-,27-24-InChIKey
IKUDHYXWEUEPDJ-YTFPPIDOSA-NSynonyms
3((Z)(5imino7oxo2(phenoxymethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
MFCD03183189
STK099167
ZINC000097959462
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