Vitas-M small molecule compound
N-{1-[5-({2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-2-fluorobenzamide
Catalog ID
STL182245
SMILES O=C(Nc1sc(c(n1)C)C)CSc1nnc(n1C)C(C(C)C)NC(=O)c1ccccc1F
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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 C21H25FN6O2S2 MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN6O2S2/c1-11(2)17(25-19(30)14-8-6-7-9-15(14)22)18-26-27-21(28(18)5)31-10-16(29)24-20-23-12(3)13(4)32-20/h6-9,11,17H,10H2,1-5H3,(H,25,30)(H,23,24,29)InChIKey
FMZXMJVLBWCORA-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2C)C(C(C)C)NC(=O)C3=CC=CC=C3F)C
InChI=1SC21H25FN6O2S2c111(2)17(2519(30)14867915(14)22)18262721(28(18)5)311016(29)24202312(3)13(4)3220h691117H10H215H3(H2530)(H232429)
MFCD22125590
N(1(5((2((45dimethyl13thiazol2yl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)2methylpropyl)2fluorobenzamide
N(1(5(2((45dimethyl13thiazol2yl)amino)2oxoethyl)sulfanyl4methyl124triazol3yl)2methylpropyl)2fluorobenzamide
ZINC000008940349
ZINC000008940356
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