Vitas-M small molecule compound
1-[6-(2-propoxynaphthalen-1-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520904
SMILES CCCOc1ccc2c(c1C1Oc3nc(SCCC)nnc3c3c(N1C(=O)C)cccc3)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 C28H28N4O3S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O3S/c1-4-16-34-23-15-14-19-10-6-7-11-20(19)24(23)27-32(18(3)33)22-13-9-8-12-21(22)25-26(35-27)29-28(31-30-25)36-17-5-2/h6-15,27H,4-5,16-17H2,1-3H3InChIKey
PHBCMGFKTJTXIN-UHFFFAOYSA-NSynonyms
1(6(2propoxynaphthalen1yl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2PROPOXYNAPHTHALEN1YL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(2PROPOXY1NAPHTHYL)3(PROPYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCOC1=C(C2=CC=CC=C2C=C1)C3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SCCC)C(=O)C
InChI=1SC28H28N4O3Sc1416342315141910671120(19)24(23)2732(18(3)33)2213981221(22)2526(3527)2928(313025)361752h61527H451617H213H3
MFCD02168442
ZINC000002087259
ZINC000002087261
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