Vitas-M small molecule compound
1-[6-(2-ethoxyphenyl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509497
SMILES CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1ccccc1OCC
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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 C26H30N4O3S MW 478.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O3S/c1-4-6-7-12-17-34-26-27-24-23(28-29-26)19-13-8-10-15-21(19)30(18(3)31)25(33-24)20-14-9-11-16-22(20)32-5-2/h8-11,13-16,25H,4-7,12,17H2,1-3H3InChIKey
XYPHKTQPHDATOM-UHFFFAOYSA-NSynonyms
1(6(2ethoxyphenyl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2ETHOXYPHENYL)3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4OCC)C(=O)C)N=N1
InChI=1SC26H30N4O3Sc146712173426272423(282926)19138101521(19)30(18(3)31)25(3324)20149111622(20)3252h811131625H471217H213H3
MFCD13369940
ZINC000003655228
ZINC000003655229
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