Vitas-M small molecule compound

4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dipropylaniline

Catalog ID
STL169830
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)N(CCC)CCC

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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 C27H35N5OS MW 477.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N5OS/c1-4-7-10-19-34-27-29-26-24(30-31-27)22-11-8-9-12-23(22)28-25(33-26)20-13-15-21(16-14-20)32(17-5-2)18-6-3/h8-9,11-16,25,28H,4-7,10,17-19H2,1-3H3
InChIKey
GZVZKYAMEZKVQF-UHFFFAOYSA-N
Synonyms

4(3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)NNdipropylaniline
4(3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)NNDIPROPYLANILINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)N(CCC)CCC)N=N1
InChI=1SC27H35N5OSc14710193427292624(303127)2211891223(22)2825(3326)20131521(161420)32(1752)1863h8911162528H47101719H213H3
MFCD01834464
ZINC000002083705
ZINC000002083706

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Available files

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