Vitas-M small molecule compound
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
Catalog ID
STK124162
SMILES O=C(Nc1nnc(s1)COc1ccccc1)CSc1nnc2c(n1)n(C)c1c2cc(cc1)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 C21H16BrN7O2S2 MW 542.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN7O2S2/c1-29-15-8-7-12(22)9-14(15)18-19(29)24-20(27-26-18)32-11-16(30)23-21-28-25-17(33-21)10-31-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,23,28,30)InChIKey
IDXSRBUEYIPTED-UHFFFAOYSA-NSynonyms
713097-01-92((8BROMO5METHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)N(5(PHENOXYMETHYL)134THIADIAZOL2YL)ACETAMIDE
2((8BROMO5METHYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)N(5(PHENOXYMETHYL)134THIADIAZOL2YL)ACETAMIDE
713097019
CN1C2=C(C=C(C=C2)Br)C3=C1N=C(N=N3)SCC(=O)NC4=NN=C(S4)COC5=CC=CC=C5
InChI=1SC21H16BrN7O2S2c129158712(22)914(15)1819(29)2420(272618)321116(30)2321282517(3321)1031135324613h29H1011H21H3(H232830)
MFCD04128764
ZINC000002746296
ZINC2746296
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