Vitas-M small molecule compound
1-{6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Catalog ID
STK522047
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(cc1)N(C)C
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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 C22H23N5O2S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S/c1-5-18(28)27-17-9-7-6-8-16(17)19-20(23-22(30-4)25-24-19)29-21(27)14-10-12-15(13-11-14)26(2)3/h6-13,21H,5H2,1-4H3InChIKey
JZKUIWPFJOAPIT-UHFFFAOYSA-NSynonyms
1(6(4(dimethylamino)phenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(4(dimethylamino)phenyl)3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)propan1one
1(6(4DIMETHYLAMINOPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)N(C)C
InChI=1SC22H23N5O2Sc1518(28)2717976816(17)1920(2322(304)252419)2921(27)14101215(131114)26(2)3h61321H5H214H3
MFCD13370939
ZINC000003655202
ZINC000003655203
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