Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-(naphthalen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521135
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc2c(c1)cccc2
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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 C24H20N4O2S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O2S/c1-3-20(29)28-19-11-7-6-10-18(19)21-22(25-24(31-2)27-26-21)30-23(28)17-13-12-15-8-4-5-9-16(15)14-17/h4-14,23H,3H2,1-2H3InChIKey
MQPVHORFSUARKG-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(naphthalen2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3METHYLSULFANYL6NAPHTHALEN2YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
3(METHYLSULFANYL)6(2NAPHTHYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC5=CC=CC=C5C=C4
InChI=1SC24H20N4O2Sc1320(29)281911761018(19)2122(2524(312)272621)3023(28)17131215845916(15)1417h41423H3H212H3
MFCD02951966
ZINC000000684309
ZINC000000684310
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