Vitas-M small molecule compound
2-bromo-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK136823
SMILES COc1ccc(cc1)NC(=O)CSc1nnc(n1C)C(NC(=O)c1ccccc1Br)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)16-6-4-5-7-17(16)22)19-25-26-21(27(19)2)31-12-18(28)24-14-8-10-15(30-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,23,29)(H,24,28)InChIKey
BZFNYLVLPHUNJV-UHFFFAOYSA-NSynonyms
2BROMON(1(5((2((4METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2BROMON(1(5(2(4METHOXYANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)OC)NC(=O)C3=CC=CC=C3Br
InChI=1SC21H22BrN5O3Sc113(2320(29)16645717(16)22)19252621(27(19)2)311218(28)241481015(303)11914h41113H12H213H3(H2329)(H2428)
MFCD05986433
ZINC000001128437
ZINC000001128438
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