Vitas-M small molecule compound
4-[(Z)-(2-cyclohexyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-ethoxyphenyl furan-2-carboxylate
Catalog ID
STK117048
SMILES CCOc1cc(ccc1OC(=O)c1ccco1)/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 C25H24N4O5S MW 492.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5S/c1-2-32-20-14-15(10-11-18(20)34-24(31)19-9-6-12-33-19)13-17-21(26)29-25(27-22(17)30)35-23(28-29)16-7-4-3-5-8-16/h6,9-14,16,26H,2-5,7-8H2,1H3/b17-13-,26-21-InChIKey
KIBVGOSXVDBTGV-UVUQJZOVSA-NSynonyms
4((Z)(2cyclohexyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2ethoxyphenylfuran2carboxylate
CCOc1cc(ccc1OC(=O)c1ccco1)C=C1C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
MFCD08673216
ZINC000012629239
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