Vitas-M small molecule compound
methyl 2-{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
STK047750
SMILES COC(=O)c1ccccc1c1ccc(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)17-10-6-5-9-16(17)19-12-11-15(32-19)13-18-20(25)28-24(26-21(18)29)33-22(27-28)14-7-3-2-4-8-14/h5-6,9-14,25H,2-4,7-8H2,1H3/b18-13-,25-20-InChIKey
RZYZRGFBHLZUQE-AKLZVKKGSA-NSynonyms
COC(=O)c1ccccc1c1ccc(o1)C=C1C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
methyl2(5((Z)(2cyclohexyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
MFCD02920697
STK047750
ZINC000013943249
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