Vitas-M small molecule compound
1-[6-(2,3-dimethoxyphenyl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509258
SMILES CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cccc(c1OC)OC
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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 C26H30N4O4S MW 494.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O4S/c1-5-6-7-10-16-35-26-27-24-22(28-29-26)18-12-8-9-14-20(18)30(17(2)31)25(34-24)19-13-11-15-21(32-3)23(19)33-4/h8-9,11-15,25H,5-7,10,16H2,1-4H3InChIKey
SCPRYAGKKTVFOF-UHFFFAOYSA-NSynonyms
1(6(23dimethoxyphenyl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(23dimethoxyphenyl)3hexylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C(=CC=C4)OC)OC)C(=O)C)N=N1
InChI=1SC26H30N4O4Sc156710163526272422(282926)1812891420(18)30(17(2)31)25(3424)1913111521(323)23(19)334h89111525H571016H214H3
MFCD04230744
ZINC000015016113
ZINC000015016114
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