Vitas-M small molecule compound
1-[6-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK326748
SMILES CSc1nnc2c(n1)OC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N(c1c2cccc1)C(=O)C
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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 C27H32N4O3S MW 492.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O3S/c1-15(32)31-20-12-10-9-11-17(20)21-23(28-25(35-8)30-29-21)34-24(31)16-13-18(26(2,3)4)22(33)19(14-16)27(5,6)7/h9-14,24,33H,1-8H3InChIKey
XCMPQPRDWOFQEL-UHFFFAOYSA-NSynonyms
1(6(35ditertbutyl4hydroxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(35DITERTBUTYL4HYDROXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
InChI=1SC27H32N4O3Sc115(32)3120121091117(20)2123(2825(358)302921)3424(31)161318(26(23)4)22(33)19(1416)27(56)7h9142433H18H3
MFCD01929853
ZINC000002977930
ZINC000002977931
Check stock
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