Vitas-M small molecule compound
2-chloro-4-{(Z)-[5-imino-7-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-6-methoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STK098803
SMILES COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl)/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 C23H21ClN4O5S2 MW 533.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O5S2/c1-12(2)22-27-28-20(25)16(21(29)26-23(28)34-22)9-14-10-17(24)19(18(11-14)32-4)33-35(30,31)15-7-5-13(3)6-8-15/h5-12,25H,1-4H3/b16-9-,25-20-InChIKey
MXNJZNTYXRKCIT-ITIWEDIMSA-NSynonyms
2chloro4((Z)(5imino7oxo2(propan2yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)6methoxyphenyl4methylbenzenesulfonate
COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
MFCD08672816
STK098803
ZINC000033354226
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