Vitas-M small molecule compound
2-[5-({2-[(2-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide
Catalog ID
STK221946
SMILES O=C(Nc1ccc(cc1C)C)Cc1nnc(n1C)SCC(=O)Nc1ccccc1Br
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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 C21H22BrN5O2S MW 488.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O2S/c1-13-8-9-16(14(2)10-13)23-19(28)11-18-25-26-21(27(18)3)30-12-20(29)24-17-7-5-4-6-15(17)22/h4-10H,11-12H2,1-3H3,(H,23,28)(H,24,29)InChIKey
OSSDLEQOAZAFJQ-UHFFFAOYSA-NSynonyms
2(5((2((2bromophenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)N(24dimethylphenyl)acetamide
2(5(2(2BROMOANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(24DIMETHYLPHENYL)ACETAMIDE
CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3Br)C
InChI=1SC21H22BrN5O2Sc1138916(14(2)1013)2319(28)1118252621(27(18)3)301220(29)2417754615(17)22h410H1112H213H3(H2328)(H2429)
MFCD07399295
ZINC000009303116
ZINC09303116
ZINC9303116
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