Vitas-M small molecule compound
N-[4-bromo-2-(propan-2-yl)phenyl]-2-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK116376
SMILES COc1ccc(cc1)c1nnc(n1C)SCC(=O)Nc1ccc(cc1C(C)C)Br
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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 C21H23BrN4O2S MW 475.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4O2S/c1-13(2)17-11-15(22)7-10-18(17)23-19(27)12-29-21-25-24-20(26(21)3)14-5-8-16(28-4)9-6-14/h5-11,13H,12H2,1-4H3,(H,23,27)InChIKey
WSPXCIJERXUWNQ-UHFFFAOYSA-NSynonyms
CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC
InChI=1SC21H23BrN4O2Sc113(2)171115(22)71018(17)2319(27)122921252420(26(21)3)145816(284)9614h51113H12H214H3(H2327)
MFCD04090875
N(4BROMO2(PROPAN2YL)PHENYL)2((5(4METHOXYPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO2ISOPROPYLPHENYL)2((5(4METHOXYPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO2PROPAN2YLPHENYL)2((5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000000687321
ZINC00687321
ZINC687321
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