Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-(5-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980222
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(s1)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 C20H20N4O2S2 MW 412.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S2/c1-4-7-16(25)24-14-9-6-5-8-13(14)17-18(21-20(27-3)23-22-17)26-19(24)15-11-10-12(2)28-15/h5-6,8-11,19H,4,7H2,1-3H3InChIKey
DVTQQJZQDFEKQV-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(5methylthiophen2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(3methylsulfanyl6(5methylthiophen2yl)6H(124)triazino(56d)(31)benzoxazepin7yl)butan1one
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(S4)C
InChI=1SC20H20N4O2S2c14716(25)2414965813(14)1718(2120(273)232217)2619(24)15111012(2)2815h5681119H47H213H3
MFCD04231115
ZINC000006728006
ZINC000006728008
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