Vitas-M small molecule compound
2-ethoxy-4-{(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
STK077715
SMILES CCOc1cc(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 C28H24N4O6S2 MW 576.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O6S2/c1-3-36-24-16-19(11-14-23(24)38-40(34,35)21-12-9-18(2)10-13-21)15-22-26(29)32-28(30-27(22)33)39-25(31-32)17-37-20-7-5-4-6-8-20/h4-16,29H,3,17H2,1-2H3/b22-15-,29-26-InChIKey
KGXPCNPXWHZCQK-KMQPVVIOSA-NSynonyms
2ethoxy4((Z)(5imino7oxo2(phenoxymethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
MFCD02951033
STK077715
ZINC000008494436
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