Vitas-M small molecule compound

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

Catalog ID
STK979914
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccccc1Cl

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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 C21H21ClN4OS MW 412.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4OS/c1-2-3-8-13-28-21-24-20-18(25-26-21)15-10-5-7-12-17(15)23-19(27-20)14-9-4-6-11-16(14)22/h4-7,9-12,19,23H,2-3,8,13H2,1H3
InChIKey
PGVFVOQMQOTZOX-UHFFFAOYSA-N
Synonyms
352701-95-2
352701952
6(2chlorophenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2CHLOROPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4Cl)N=N1
InChI=1SC21H21ClN4OSc1238132821242018(252621)1510571217(15)2319(2720)149461116(14)22h479121923H23813H21H3
MFCD01648037
ZINC000002744818
ZINC000002744819

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Available files

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