Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-phenyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521015
SMILES CSc1nnc2c(n1)OC(c1ccccc1)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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c1-3-16(25)24-15-12-8-7-11-14(15)17-18(21-20(27-2)23-22-17)26-19(24)13-9-5-4-6-10-13/h4-12,19H,3H2,1-2H3InChIKey
LOOQRUFLARMBOM-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6phenyl(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3METHYLSULFANYL6PHENYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC=C4
InChI=1SC20H18N4O2Sc1316(25)241512871114(15)1718(2120(272)232217)2619(24)1395461013h41219H3H212H3
MFCD02376835
ZINC000002878337
ZINC000002878338
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