Vitas-M small molecule compound
3-(5-{(Z)-[2-(2-cyclohexylethyl)-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL048079
SMILES O=C1N=c2sc(nn2C(=[NH2+])/C/1=C/c1ccc(o1)c1cccc(c1)C(=O)[O-])CCC1CCCCC1
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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 C25H24N4O4S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S/c26-22-19(14-18-10-11-20(33-18)16-7-4-8-17(13-16)24(31)32)23(30)27-25-29(22)28-21(34-25)12-9-15-5-2-1-3-6-15/h4,7-8,10-11,13-15,26H,1-3,5-6,9,12H2,(H,31,32)/b19-14-,26-22?InChIKey
CYBXPLRSWSBRQX-OQZKWKKUSA-NSynonyms
3(5((Z)(2(2cyclohexylethyl)5iminio7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
3(5((Z)(2(2CYCLOHEXYLETHYL)5IMINO7OXO(134)THIADIAZOLO(32A)PYRIMIDIN6YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1CCC(CC1)CCC2=NN3C(=N)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C(=O)N=C3S2
InChI=1SC25H24N4O4Sc262219(1418101120(3318)1674817(1316)24(31)32)23(30)272529(22)2821(3425)129155213615h4781011131526H1356912H2(H3132)b19142622?
MFCD04194632
O=C1N=c2sc(nn2C(=(NH2+))C1=Cc1ccc(o1)c1cccc(c1)C(=O)(O))CCC1CCCCC1
ZINC000009210026
ZINC9210026
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