Vitas-M small molecule compound
N-{[5-({2-[(4-chloro-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
Catalog ID
STK297774
SMILES COc1cccc(c1)C(=O)NCc1nnc(n1C)SCC(=O)Nc1ccc(cc1F)Cl
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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 C20H19ClFN5O3S MW 463.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClFN5O3S/c1-27-17(10-23-19(29)12-4-3-5-14(8-12)30-2)25-26-20(27)31-11-18(28)24-16-7-6-13(21)9-15(16)22/h3-9H,10-11H2,1-2H3,(H,23,29)(H,24,28)InChIKey
BJGZJVAWRKWSLV-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)F)CNC(=O)C3=CC(=CC=C3)OC
InChI=1SC20H19ClFN5O3Sc12717(102319(29)1243514(812)302)252620(27)311118(28)24167613(21)915(16)22h39H1011H212H3(H2329)(H2428)
MFCD09961168
N((5((2((4chloro2fluorophenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)methyl)3methoxybenzamide
N((5(2(4chloro2fluoroanilino)2oxoethyl)sulfanyl4methyl124triazol3yl)methyl)3methoxybenzamide
N(5((4CHLORO2FLUOROPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)3METHOXYBENZAMIDE
ZINC000013956711
ZINC13956711
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