Vitas-M small molecule compound
4-{(Z)-[5-imino-7-oxo-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STK041975
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)/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 C27H22N4O6S2 MW 562.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O6S2/c1-17-8-11-20(12-9-17)39(33,34)37-22-13-10-18(15-23(22)35-2)14-21-25(28)31-27(29-26(21)32)38-24(30-31)16-36-19-6-4-3-5-7-19/h3-15,28H,16H2,1-2H3/b21-14-,28-25-InChIKey
JEBWVXZKTSICPE-ZMSDRGEISA-NSynonyms
4((Z)(5imino7oxo2(phenoxymethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl4methylbenzenesulfonate
COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
MFCD02951025
STK041975
ZINC000008494258
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