Vitas-M small molecule compound
4-{(E)-[5-imino-7-oxo-2-(1-phenylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}benzoic acid
Catalog ID
STK073596
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3ccc(cc3)C(=O)O)/C2=N)s1)c1ccccc1
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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 C22H18N4O3S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3S/c1-2-16(14-6-4-3-5-7-14)20-25-26-18(23)17(19(27)24-22(26)30-20)12-13-8-10-15(11-9-13)21(28)29/h3-12,16,23H,2H2,1H3,(H,28,29)/b17-12+,23-18-InChIKey
VBHHLJDZVFUWQQ-NWDAVJMASA-NSynonyms
4((E)(5imino7oxo2(1phenylpropyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)benzoicacid
CCC(c1nn2c(=NC(=O)C(=Cc3ccc(cc3)C(=O)O)C2=N)s1)c1ccccc1
MFCD03720663
STK073596
ZINC000009659500
ZINC000009659501
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