Vitas-M small molecule compound
2-fluoro-N-{[4-methyl-5-({1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK231075
SMILES O=C(C(Sc1nnc(n1C)CNC(=O)c1ccccc1F)C)Nc1nnc(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 C17H18FN7O2S2 MW 435.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18FN7O2S2/c1-9(14(26)20-16-23-21-10(2)29-16)28-17-24-22-13(25(17)3)8-19-15(27)11-6-4-5-7-12(11)18/h4-7,9H,8H2,1-3H3,(H,19,27)(H,20,23,26)InChIKey
VQVXTVWQWZFDLZ-UHFFFAOYSA-NSynonyms
2fluoroN((4methyl5((1((5methyl134thiadiazol2yl)amino)1oxopropan2yl)sulfanyl)4H124triazol3yl)methyl)benzamide
2FLUORON((4METHYL5(1((5METHYL134THIADIAZOL2YL)AMINO)1OXOPROPAN2YL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
2FLUORON(4METHYL5(1(5METHYL(134)THIADIAZOL2YLCARBAMOYL)ETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
CC1=NN=C(S1)NC(=O)C(C)SC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3F
InChI=1SC17H18FN7O2S2c19(14(26)2016232110(2)2916)2817242213(25(17)3)81915(27)11645712(11)18h479H8H213H3(H1927)(H202326)
MFCD07791867
ZINC000009290077
ZINC000009290080
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