Vitas-M small molecule compound
1-[3-(prop-2-en-1-ylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK980217
SMILES C=CCSc1nnc2c(n1)OC(c1cccs1)N(c1c2cccc1)C(=O)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 C20H18N4O2S2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S2/c1-3-11-28-20-21-18-17(22-23-20)13-8-5-6-9-14(13)24(16(25)4-2)19(26-18)15-10-7-12-27-15/h3,5-10,12,19H,1,4,11H2,2H3InChIKey
LAOARMZZYNMPFE-UHFFFAOYSA-NSynonyms
1(3(prop2en1ylsulfanyl)6(thiophen2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3PROP2ENYLSULFANYL6THIOPHEN2YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
3(ALLYLSULFANYL)7PROPIONYL6THIEN2YL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC=CS4
InChI=1SC20H18N4O2S2c13112820211817(222320)13856914(13)24(16(25)42)19(2618)15107122715h35101219H1411H22H3
MFCD03698551
ZINC000003637600
ZINC000003637602
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