Vitas-M small molecule compound
ethyl 3-{5-[(Z)-{5-imino-7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate
Catalog ID
STL237237
SMILES CCOC(=O)c1cccc(c1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
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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 C25H23N5O5S MW 505.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O5S/c1-2-34-24(33)16-7-5-6-15(12-16)19-9-8-17(35-19)13-18-22(26)30-25(27-23(18)32)36-20(28-30)14-21(31)29-10-3-4-11-29/h5-9,12-13,26H,2-4,10-11,14H2,1H3/b18-13-,26-22-InChIKey
ZGHPGIJLVJTTFA-PNSBMDIASA-NSynonyms
846027-29-0(Z)ethyl3(5((5imino7oxo2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
846027290
CCOC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
ethyl3(5((Z)(5imino7oxo2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
MFCD04172165
ZINC000009303329
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