Vitas-M small molecule compound
N-(4-chlorophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide
Catalog ID
STK147493
SMILES CCC(C(=O)Nc1ccc(cc1)Cl)Sc1nnc(n1C)COc1ccccc1C
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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 C21H23ClN4O2S MW 430.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O2S/c1-4-18(20(27)23-16-11-9-15(22)10-12-16)29-21-25-24-19(26(21)3)13-28-17-8-6-5-7-14(17)2/h5-12,18H,4,13H2,1-3H3,(H,23,27)InChIKey
BQLFJSQLVMTNNQ-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NN=C(N2C)COC3=CC=CC=C3C
InChI=1SC21H23ClN4O2Sc1418(20(27)231611915(22)101216)2921252419(26(21)3)132817865714(17)2h51218H413H213H3(H2327)
MFCD04209750
N(4CHLOROPHENYL)2((4METHYL5((2METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)BUTANAMIDE
N(4CHLOROPHENYL)2((4METHYL5((2METHYLPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)BUTANAMIDE
ZINC000001144368
ZINC000001144369
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