Vitas-M small molecule compound

6-(2-ethoxynaphthalen-1-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STL169813
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1c(OCC)ccc2c1cccc2

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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 C27H28N4O2S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S/c1-3-5-10-17-34-27-29-26-24(30-31-27)20-13-8-9-14-21(20)28-25(33-26)23-19-12-7-6-11-18(19)15-16-22(23)32-4-2/h6-9,11-16,25,28H,3-5,10,17H2,1-2H3
InChIKey
LEGSXNHKFJYREF-UHFFFAOYSA-N
Synonyms
352689-26-0
352689260
6(2ETHOXY1NAPHTHYL)3(PENTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(2ethoxynaphthalen1yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2ETHOXYNAPHTHALEN1YL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CC5=CC=CC=C54)OCC)N=N1
InChI=1SC27H28N4O2Sc13510173427292624(303127)2013891421(20)2825(3326)231912761118(19)151622(23)3242h6911162528H351017H212H3
MFCD01647701
ZINC000002083828
ZINC000002083829

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Available files

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