Vitas-M small molecule compound
1-[6-(1-methyl-1H-pyrrol-2-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK326287
SMILES CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cccn1C
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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 C20H21N5O2S MW 395.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O2S/c1-4-12-28-20-21-18-17(22-23-20)14-8-5-6-9-15(14)25(13(2)26)19(27-18)16-10-7-11-24(16)3/h5-11,19H,4,12H2,1-3H3InChIKey
RNWNUEWGXQRLLX-UHFFFAOYSA-NSynonyms
1(6(1methyl1Hpyrrol2yl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(1METHYLPYRROL2YL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(1METHYL1HPYRROL2YL)3(PROPYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CN4C)C(=O)C)N=N1
InChI=1SC20H21N5O2Sc14122820211817(222320)14856915(14)25(13(2)26)19(2718)161071124(16)3h51119H412H213H3
MFCD02168443
ZINC000002087263
ZINC000002087265
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