Vitas-M small molecule compound
ethyl [5-({2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoyl}amino)-1,3,4-thiadiazol-2-yl]acetate
Catalog ID
STK523938
SMILES CCOC(=O)Cc1nnc(s1)NC(=O)C(Sc1nnc2c(n1)n(C)c1c2cc(cc1)Br)CC
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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 C20H20BrN7O3S2 MW 550.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN7O3S2/c1-4-13(18(30)23-20-26-24-14(33-20)9-15(29)31-5-2)32-19-22-17-16(25-27-19)11-8-10(21)6-7-12(11)28(17)3/h6-8,13H,4-5,9H2,1-3H3,(H,23,26,30)InChIKey
RYUFNNUXJBPWIR-UHFFFAOYSA-NSynonyms
682759-55-3682759553
CCC(C(=O)NC1=NN=C(S1)CC(=O)OCC)SC2=NC3=C(C4=C(N3C)C=CC(=C4)Br)N=N2
ethyl(5((2((8bromo5methyl5H(124)triazino(56b)indol3yl)sulfanyl)butanoyl)amino)134thiadiazol2yl)acetate
ETHYL2(5(2((8BROMO5METHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)BUTANOYLAMINO)134THIADIAZOL2YL)ACETATE
InChI=1SC20H20BrN7O3S2c1413(18(30)2320262414(3320)915(29)3152)3219221716(252719)11810(21)6712(11)28(17)3h6813H459H213H3(H232630)
MFCD03766966
ZINC000002746329
ZINC000002746330
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