Vitas-M small molecule compound

N-(4-bromo-2,3-dimethylphenyl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK114712
SMILES O=C(Nc1ccc(c(c1C)C)Br)CSc1nnc(n1C)c1cccc(c1)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 C20H21BrN4OS MW 445.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4OS/c1-12-6-5-7-15(10-12)19-23-24-20(25(19)4)27-11-18(26)22-17-9-8-16(21)13(2)14(17)3/h5-10H,11H2,1-4H3,(H,22,26)
InChIKey
WYVVRDXBINDAEP-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C(=C(C=C3)Br)C)C
InChI=1SC20H21BrN4OSc11265715(1012)19232420(25(19)4)271118(26)22179816(21)13(2)14(17)3h510H11H214H3(H2226)
MFCD04090893
N(4BROMO23DIMETHYLPHENYL)2((4METHYL5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO23DIMETHYLPHENYL)2((4METHYL5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000000687351
ZINC00687351
ZINC687351

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Available files

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