Vitas-M small molecule compound
2-({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)butanamide
Catalog ID
STK120679
SMILES CCC(C(=O)Nc1ccc(cc1)Br)Sc1nnc(n1C)c1cccc(c1)NC(=O)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 C21H22BrN5O2S MW 488.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O2S/c1-4-18(20(29)24-16-10-8-15(22)9-11-16)30-21-26-25-19(27(21)3)14-6-5-7-17(12-14)23-13(2)28/h5-12,18H,4H2,1-3H3,(H,23,28)(H,24,29)InChIKey
GKCXMZHKZXCLBO-UHFFFAOYSA-NSynonyms
2((5(3(ACETYLAMINO)PHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(4BROMOPHENYL)BUTANAMIDE
2((5(3ACETAMIDOPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)N(4BROMOPHENYL)BUTANAMIDE
CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C
InChI=1SC21H22BrN5O2Sc1418(20(29)241610815(22)91116)3021262519(27(21)3)1465717(1214)2313(2)28h51218H4H213H3(H2328)(H2429)
MFCD04372786
ZINC000009805664
ZINC000009805665
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