Vitas-M small molecule compound
N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]benzamide
Catalog ID
STL249047
SMILES CC(Cc1n[nH]/c(=N\C(=O)c2ccc(cc2)Cn2nnc3c(c2=O)cccc3)/s1)C
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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 C21H20N6O2S MW 420.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O2S/c1-13(2)11-18-24-25-21(30-18)22-19(28)15-9-7-14(8-10-15)12-27-20(29)16-5-3-4-6-17(16)23-26-27/h3-10,13H,11-12H2,1-2H3,(H,22,25,28)InChIKey
FOSGVZQWJNWGII-UHFFFAOYSA-NSynonyms
1374524-48-71374524487
CC(C)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=N3
CC(Cc1n(nH)c(=NC(=O)c2ccc(cc2)Cn2nnc3c(c2=O)cccc3)s1)C
InChI=1SC21H20N6O2Sc113(2)1118242521(3018)2219(28)159714(81015)122720(29)16534617(16)232627h31013H1112H212H3(H222528)
MFCD24861404
N((2E)5(2methylpropyl)134thiadiazol2(3H)ylidene)4((4oxo123benzotriazin3(4H)yl)methyl)benzamide
N(5(2methylpropyl)134thiadiazol2yl)4((4oxo123benzotriazin3yl)methyl)benzamide
ZINC000072405873
ZINC72405873
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