Vitas-M small molecule compound
N-{1-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide
Catalog ID
STK186911
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)Nc1ccccc1F)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 C21H22FN5O3S MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O3S/c1-13(23-20(29)14-8-10-15(30-3)11-9-14)19-25-26-21(27(19)2)31-12-18(28)24-17-7-5-4-6-16(17)22/h4-11,13H,12H2,1-3H3,(H,23,29)(H,24,28)InChIKey
LARXSPFVHNXHLX-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC=C2F)NC(=O)C3=CC=C(C=C3)OC
InChI=1SC21H22FN5O3Sc113(2320(29)1481015(303)11914)19252621(27(19)2)311218(28)2417754616(17)22h41113H12H213H3(H2329)(H2428)
MFCD06005983
N(1(5((2((2FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
N(1(5(2(2FLUOROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
ZINC000001059844
ZINC000001059846
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