Vitas-M small molecule compound
2-[5-({2-[(4-bromo-3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide
Catalog ID
STK197693
SMILES O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1C)CC(=O)Nc1ccccc1
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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 C20H20BrN5O2S MW 474.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN5O2S/c1-13-10-15(8-9-16(13)21)23-19(28)12-29-20-25-24-17(26(20)2)11-18(27)22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,22,27)(H,23,28)InChIKey
LLLYWSGVXPXNRX-UHFFFAOYSA-NSynonyms
2(5((2((4BROMO3METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)NPHENYLACETAMIDE
2(5(2(4BROMO3METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)NPHENYLACETAMIDE
CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3)Br
InChI=1SC20H20BrN5O2Sc1131015(8916(13)21)2319(28)122920252417(26(20)2)1118(27)22146435714h310H1112H212H3(H2227)(H2328)
MFCD04389014
ZINC000002853319
ZINC02853319
ZINC2853319
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