Vitas-M small molecule compound
1-[6-(3-ethoxy-2-methoxyphenyl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509255
SMILES CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cccc(c1OC)OCC
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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 C27H32N4O4S MW 508.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O4S/c1-5-7-8-11-17-36-27-28-25-23(29-30-27)19-13-9-10-15-21(19)31(18(3)32)26(35-25)20-14-12-16-22(34-6-2)24(20)33-4/h9-10,12-16,26H,5-8,11,17H2,1-4H3InChIKey
IMAAWHYBGRBEBM-UHFFFAOYSA-NSynonyms
1(6(3ethoxy2methoxyphenyl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3ETHOXY2METHOXYPHENYL)3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(3ETHOXY2METHOXYPHENYL)3(HEXYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C(=CC=C4)OCC)OC)C(=O)C)N=N1
InChI=1SC27H32N4O4Sc157811173627282523(293027)19139101521(19)31(18(3)32)26(3525)2014121622(3462)24(20)334h910121626H581117H214H3
MFCD03080375
ZINC000002104699
ZINC000002104701
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