Vitas-M small molecule compound

N-{1-[5-({2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide

Catalog ID
STK219239
SMILES O=C(Nc1nnc(s1)C1CC1)CSc1nnc(n1C)C(NC(=O)c1ccccc1F)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 C19H20FN7O2S2 MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20FN7O2S2/c1-10(21-16(29)12-5-3-4-6-13(12)20)15-23-26-19(27(15)2)30-9-14(28)22-18-25-24-17(31-18)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,21,29)(H,22,25,28)
InChIKey
PCOBBKVRPXTPMO-UHFFFAOYSA-N
Synonyms

CC(C1=NN=C(N1C)SCC(=O)NC2=NN=C(S2)C3CC3)NC(=O)C4=CC=CC=C4F
InChI=1SC19H20FN7O2S2c110(2116(29)12534613(12)20)15232619(27(15)2)30914(28)2218252417(3118)117811h361011H79H212H3(H2129)(H222528)
MFCD07401335
N(1(5((2((5CYCLOPROPYL134THIADIAZOL2YL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(5((5CYCLOPROPYL(134)THIADIAZOL2YLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(5(2((5CYCLOPROPYL134THIADIAZOL2YL)AMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009302527
ZINC000009302528

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Available files

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