Vitas-M small molecule compound
3-{5-[(Z)-{5-iminio-7-oxo-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate
Catalog ID
STL051698
SMILES O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)C(=O)[O-])/C2=[NH2+])s1
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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 C24H21N5O5S MW 491.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O5S/c25-21-17(12-16-7-8-18(34-16)14-5-4-6-15(11-14)23(32)33)22(31)26-24-29(21)27-19(35-24)13-20(30)28-9-2-1-3-10-28/h4-8,11-12,25H,1-3,9-10,13H2,(H,32,33)/b17-12-,25-21?InChIKey
LLRGWUDKHJMHDY-VFHVDCSJSA-NSynonyms
3(5((Z)(5iminio7oxo2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
3(5((Z)(5IMINO7OXO2(2OXO2PIPERIDIN1YLETHYL)(134)THIADIAZOLO(32A)PYRIMIDIN6YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1CCN(CC1)C(=O)CC2=NN3C(=N)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C(=O)N=C3S2
InChI=1SC24H21N5O5Sc252117(12167818(3416)1454615(1114)23(32)33)22(31)262429(21)2719(3524)1320(30)2892131028h48111225H1391013H2(H3233)b17122521?
MFCD05690579
O=C(N1CCCCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3cccc(c3)C(=O)(O))C2=(NH2+))s1
ZINC000009360685
ZINC9360685
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