Vitas-M small molecule compound
2-fluoro-N-{[5-({1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl}sulfanyl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK222144
SMILES O=C(C(Sc1nnc(n1C(C)C)CNC(=O)c1ccccc1F)C)Nc1scc(n1)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 C20H23FN6O2S2 MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23FN6O2S2/c1-11(2)27-16(9-22-18(29)14-7-5-6-8-15(14)21)25-26-20(27)31-13(4)17(28)24-19-23-12(3)10-30-19/h5-8,10-11,13H,9H2,1-4H3,(H,22,29)(H,23,24,28)InChIKey
IRBZVFULABYYAC-UHFFFAOYSA-NSynonyms
2fluoroN((5((1((4methyl13thiazol2yl)amino)1oxopropan2yl)sulfanyl)4(propan2yl)4H124triazol3yl)methyl)benzamide
2FLUORON((5(1((4METHYL13THIAZOL2YL)AMINO)1OXOPROPAN2YL)SULFANYL4PROPAN2YL124TRIAZOL3YL)METHYL)BENZAMIDE
2FLUORON(4ISOPROPYL5(1(4METHYLTHIAZOL2YLCARBAMOYL)ETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
CC1=CSC(=N1)NC(=O)C(C)SC2=NN=C(N2C(C)C)CNC(=O)C3=CC=CC=C3F
InChI=1SC20H23FN6O2S2c111(2)2716(92218(29)14756815(14)21)252620(27)3113(4)17(28)24192312(3)103019h58101113H9H214H3(H2229)(H232428)
MFCD07403197
ZINC000009303835
ZINC000009303839
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