Vitas-M small molecule compound
N-[(5-{[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide
Catalog ID
STK297401
SMILES O=C(C(Sc1nnc(n1C)CNC(=O)c1ccccc1F)C)NC1CCCCC1
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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 C20H26FN5O2S MW 419.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26FN5O2S/c1-13(18(27)23-14-8-4-3-5-9-14)29-20-25-24-17(26(20)2)12-22-19(28)15-10-6-7-11-16(15)21/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,22,28)(H,23,27)InChIKey
UNDMIVZVZZTVPN-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3F
InChI=1SC20H26FN5O2Sc113(18(27)23148435914)2920252417(26(20)2)122219(28)1510671116(15)21h6710111314H358912H212H3(H2228)(H2327)
MFCD09960972
N((5((1(cyclohexylamino)1oxopropan2yl)sulfanyl)4methyl4H124triazol3yl)methyl)2fluorobenzamide
N((5(1(cyclohexylamino)1oxopropan2yl)sulfanyl4methyl124triazol3yl)methyl)2fluorobenzamide
N(5(1CYCLOHEXYLCARBAMOYLETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)2FLUOROBENZAMIDE
ZINC000013956391
ZINC000013956393
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