Vitas-M small molecule compound
methyl 4-{5-[(Z)-(2-cyclohexyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK067887
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)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 C24H22N4O4S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S/c1-31-23(30)16-9-7-14(8-10-16)19-12-11-17(32-19)13-18-20(25)28-24(26-21(18)29)33-22(27-28)15-5-3-2-4-6-15/h7-13,15,25H,2-6H2,1H3/b18-13-,25-20-InChIKey
MJPPAGVNAUGARM-AKLZVKKGSA-NSynonyms
COC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
methyl4(5((Z)(2cyclohexyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
MFCD02921080
STK067887
ZINC000013898091
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