Vitas-M small molecule compound
ethyl 3-{5-[(E)-{5-imino-7-oxo-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate
Catalog ID
STL237817
SMILES CCOC(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
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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 C26H25N5O5S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O5S/c1-2-35-25(34)17-8-6-7-16(13-17)20-10-9-18(36-20)14-19-23(27)31-26(28-24(19)33)37-21(29-31)15-22(32)30-11-4-3-5-12-30/h6-10,13-14,27H,2-5,11-12,15H2,1H3/b19-14+,27-23-InChIKey
UPVMOPVAJAMHQP-VDSHRRNKSA-NSynonyms
846030-63-5(E)ethyl3(5((5imino7oxo2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
846030635
CCOC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
ethyl3(5((E)(5imino7oxo2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
MFCD04172618
ZINC000009303512
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