Vitas-M small molecule compound
2-chloro-4-{(Z)-[5-imino-2-(4-methylphenyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-6-methoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STK034600
SMILES COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)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 C27H21ClN4O5S2 MW 581.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4O5S2/c1-15-4-8-18(9-5-15)26-31-32-24(29)20(25(33)30-27(32)38-26)12-17-13-21(28)23(22(14-17)36-3)37-39(34,35)19-10-6-16(2)7-11-19/h4-14,29H,1-3H3/b20-12-,29-24-InChIKey
ALRKPZZBFHAPPA-ZHRCSVKYSA-NSynonyms
2chloro4((Z)(5imino2(4methylphenyl)7oxo5H(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)c1ccc(cc1)C
MFCD02951036
STK034600
ZINC000008494491
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