Vitas-M small molecule compound
2-ethoxy-4-{(Z)-[5-imino-7-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 4-methylbenzenesulfonate
Catalog ID
STK014287
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C
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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 C24H24N4O5S2 MW 512.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O5S2/c1-5-32-20-13-16(8-11-19(20)33-35(30,31)17-9-6-15(4)7-10-17)12-18-21(25)28-24(26-22(18)29)34-23(27-28)14(2)3/h6-14,25H,5H2,1-4H3/b18-12-,25-21-InChIKey
QCJXVXBCSPXMAD-MXQULWKESA-NSynonyms
(Z)2ethoxy4((5imino2isopropyl7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
2ethoxy4((Z)(5imino7oxo2(propan2yl)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)C(C)C
MFCD02997660
STK014287
ZINC000008837199
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