Vitas-M small molecule compound
1-[6-(4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980077
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(cc1)OC
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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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-4-7-18(27)26-17-9-6-5-8-16(17)19-20(23-22(30-3)25-24-19)29-21(26)14-10-12-15(28-2)13-11-14/h5-6,8-13,21H,4,7H2,1-3H3InChIKey
QZRWZGHNSWNSCF-UHFFFAOYSA-NSynonyms
1(6(4methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(4METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
4(7BUTYRYL3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLMETHYLETHER
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)OC
InChI=1SC22H22N4O3Sc14718(27)2617965816(17)1920(2322(303)252419)2921(26)14101215(282)131114h5681321H47H213H3
MFCD02952117
ZINC000000684628
ZINC000000684629
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