Vitas-M small molecule compound
3-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Catalog ID
STK979912
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cccc(c1)O
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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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-2-3-6-12-28-21-23-20-18(24-25-21)16-10-4-5-11-17(16)22-19(27-20)14-8-7-9-15(26)13-14/h4-5,7-11,13,19,22,26H,2-3,6,12H2,1H3InChIKey
VPBJYRXGSHEKAT-UHFFFAOYSA-NSynonyms
352693-63-13(3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
3(3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
352693631
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)O)N=N1
InChI=1SC21H22N4O2Sc1236122821232018(242521)1610451117(16)2219(2720)1487915(26)1314h4571113192226H23612H21H3
MFCD01647917
ZINC000002084570
ZINC000002084571
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