Vitas-M small molecule compound
2-[(4-{(Z)-[5-imino-2-(4-methylphenyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
Catalog ID
STK385672
SMILES COc1cc(cc(c1OCc1ccccc1C#N)I)/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 C28H20IN5O3S MW 633.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20IN5O3S/c1-16-7-9-18(10-8-16)27-33-34-25(31)21(26(35)32-28(34)38-27)11-17-12-22(29)24(23(13-17)36-2)37-15-20-6-4-3-5-19(20)14-30/h3-13,31H,15H2,1-2H3/b21-11-,31-25-InChIKey
YZZWZYGLMGYWEW-HPRJNBIYSA-NSynonyms
2((4((Z)(5imino2(4methylphenyl)7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
COc1cc(cc(c1OCc1ccccc1C#N)I)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C
MFCD03649076
ZINC000097964061
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