Vitas-M small molecule compound
2-[(4-{(Z)-[5-imino-7-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
Catalog ID
STK013444
SMILES COc1cc(cc(c1OCc1ccccc1C#N)I)/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 C24H20IN5O3S MW 585.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20IN5O3S/c1-13(2)23-29-30-21(27)17(22(31)28-24(30)34-23)8-14-9-18(25)20(19(10-14)32-3)33-12-16-7-5-4-6-15(16)11-26/h4-10,13,27H,12H2,1-3H3/b17-8-,27-21-InChIKey
JQZABSHOOVKEAA-DSPWSGFHSA-NSynonyms
2((4((Z)(5imino7oxo2(propan2yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
COc1cc(cc(c1OCc1ccccc1C#N)I)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
MFCD02119075
STK013444
ZINC000008452992
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