Vitas-M small molecule compound
N-{[5-({2-[(5-fluoro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide
Catalog ID
STK221751
SMILES COc1ccccc1C(=O)NCc1nnc(n1C)SCC(=O)Nc1cc(F)ccc1C
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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 C21H22FN5O3S MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O3S/c1-13-8-9-14(22)10-16(13)24-19(28)12-31-21-26-25-18(27(21)2)11-23-20(29)15-6-4-5-7-17(15)30-3/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,28)InChIKey
SIQRYWPTHPVIAX-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3OC
InChI=1SC21H22FN5O3Sc1138914(22)1016(13)2419(28)123121262518(27(21)2)112320(29)15645717(15)303h410H1112H213H3(H2329)(H2428)
MFCD07403227
N((5((2((5FLUORO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)2METHOXYBENZAMIDE
N((5(2(5FLUORO2METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)2METHOXYBENZAMIDE
ZINC000009263813
ZINC09263813
ZINC9263813
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