Vitas-M small molecule compound
methyl 2-(5-{(Z)-[5-imino-2-(4-methylphenyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK031998
SMILES COC(=O)c1ccccc1c1ccc(o1)/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 C25H18N4O4S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O4S/c1-14-7-9-15(10-8-14)23-28-29-21(26)19(22(30)27-25(29)34-23)13-16-11-12-20(33-16)17-5-3-4-6-18(17)24(31)32-2/h3-13,26H,1-2H3/b19-13-,26-21-InChIKey
ZFTGUSGTDAEHFX-LEXHDZRKSA-NSynonyms
COC(=O)c1ccccc1c1ccc(o1)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C
methyl2(5((Z)(5imino2(4methylphenyl)7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
MFCD02921276
STK031998
ZINC000002124868
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