Vitas-M small molecule compound
N-{1-[5-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-2-hydroxyethyl}-4-methoxybenzamide
Catalog ID
STK211558
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)Nc1ccc(cc1)Cl)CO
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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 C21H22ClN5O4S MW 475.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O4S/c1-27-19(17(11-28)24-20(30)13-3-9-16(31-2)10-4-13)25-26-21(27)32-12-18(29)23-15-7-5-14(22)6-8-15/h3-10,17,28H,11-12H2,1-2H3,(H,23,29)(H,24,30)InChIKey
IKQFEABUOPLRAJ-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C(CO)NC(=O)C3=CC=C(C=C3)OC
InChI=1SC21H22ClN5O4Sc12719(17(1128)2420(30)133916(312)10413)252621(27)321218(29)23157514(22)6815h3101728H1112H212H3(H2329)(H2430)
MFCD08670085
N(1(5((2((4CHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)2HYDROXYETHYL)4METHOXYBENZAMIDE
N(1(5((4CHLOROPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)2HYDROXYETHYL)4METHOXYBENZAMIDE
N(1(5(2(4CHLOROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)2HYDROXYETHYL)4METHOXYBENZAMIDE
ZINC000009261848
ZINC000009261852
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