Vitas-M small molecule compound
N-{1-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide
Catalog ID
STK186773
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)Nc1ccc(cc1)Br)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 C21H22BrN5O3S MW 504.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O3S/c1-13(23-20(29)14-4-10-17(30-3)11-5-14)19-25-26-21(27(19)2)31-12-18(28)24-16-8-6-15(22)7-9-16/h4-11,13H,12H2,1-3H3,(H,23,29)(H,24,28)InChIKey
IXRSXEFQRZBQCX-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)Br)NC(=O)C3=CC=C(C=C3)OC
InChI=1SC21H22BrN5O3Sc113(2320(29)1441017(303)11514)19252621(27(19)2)311218(28)24168615(22)7916h41113H12H213H3(H2329)(H2428)
MFCD05998953
N(1(5((2((4BROMOPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
N(1(5(2(4BROMOANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
ZINC000002867089
ZINC000002867090
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