Vitas-M small molecule compound
4-[(E)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate
Catalog ID
STK079189
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)OC)OC(=O)c3cccs3)/C2=N)s1
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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 C21H18N4O4S2 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S2/c1-3-5-17-24-25-18(22)13(19(26)23-21(25)31-17)10-12-7-8-14(15(11-12)28-2)29-20(27)16-6-4-9-30-16/h4,6-11,22H,3,5H2,1-2H3/b13-10+,22-18+InChIKey
VAKQEDOWNGVWEI-DZFITWGMSA-NSynonyms
(Z)4((5imino7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenylthiophene2carboxylate4((E)(5imino7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenylthiophene2carboxylate
CCCc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)OC)OC(=O)c3cccs3)C2=N)s1
Registry IDs
MFCD03227320ZINC000009660109
Check stock
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Check stock on Vitas-MAvailable files
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