Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521018
SMILES CCC(=O)N1c2ccccc2c2c(OC1c1cccs1)nc(nn2)SC
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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 C18H16N4O2S2 MW 384.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O2S2/c1-3-14(23)22-12-8-5-4-7-11(12)15-16(19-18(25-2)21-20-15)24-17(22)13-9-6-10-26-13/h4-10,17H,3H2,1-2H3InChIKey
GFBAZFAOJNDZOA-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(thiophen2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3METHYLSULFANYL6THIOPHEN2YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
3(METHYLSULFANYL)7PROPIONYL6(2THIENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
3(METHYLTHIO)7PROPIONYL6THIEN2YL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CS4
InChI=1SC18H16N4O2S2c1314(23)2212854711(12)1516(1918(252)212015)2417(22)1396102613h41017H3H212H3
MFCD02376860
ZINC000000684269
ZINC000000684270
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