Vitas-M small molecule compound
N-(2-oxoheptan-3-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Catalog ID
STK510680
SMILES CCCCC(C(=O)C)NC(=O)CSc1nnc2c(n1)n(CC=C)c1c2cccc1
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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 C21H25N5O2S MW 411.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O2S/c1-4-6-10-16(14(3)27)22-18(28)13-29-21-23-20-19(24-25-21)15-9-7-8-11-17(15)26(20)12-5-2/h5,7-9,11,16H,2,4,6,10,12-13H2,1,3H3,(H,22,28)InChIKey
MFFSLIIAPGKVPK-UHFFFAOYSA-NSynonyms
CCCCC(C(=O)C)NC(=O)CSC1=NC2=C(C3=CC=CC=C3N2CC=C)N=N1
InChI=1SC21H25N5O2Sc1461016(14(3)27)2218(28)132921232019(242521)159781117(15)26(20)1252h5791116H246101213H213H3(H2228)
MFCD13370162
N(2oxoheptan3yl)2((5(prop2en1yl)5H(124)triazino(56b)indol3yl)sulfanyl)acetamide
N(2oxoheptan3yl)2((5prop2enyl(124)triazino(56b)indol3yl)sulfanyl)acetamide
ZINC000036235015
ZINC000036235018
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