Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-(thiophen-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK326303
SMILES CCC(=O)N1c2ccccc2c2c(OC1c1ccsc1)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)22-13-7-5-4-6-12(13)15-16(19-18(25-2)21-20-15)24-17(22)11-8-9-26-10-11/h4-10,17H,3H2,1-2H3InChIKey
YUTCRDGOMKWOBX-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(thiophen3yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3METHYLSULFANYL6THIOPHEN3YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
3(METHYLSULFANYL)7PROPIONYL6(3THIENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CSC=C4
InChI=1SC18H16N4O2S2c1314(23)2213754612(13)1516(1918(252)212015)2417(22)1189261011h41017H3H212H3
MFCD02376919
ZINC000000684494
ZINC000000684495
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