Vitas-M small molecule compound
1-[6-(2-ethoxynaphthalen-1-yl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521213
SMILES CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1c(OCC)ccc2c1cccc2
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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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-4-22(32)31-20-14-10-9-13-19(20)24-25(28-27(30-29-24)35-6-3)34-26(31)23-18-12-8-7-11-17(18)15-16-21(23)33-5-2/h7-16,26H,4-6H2,1-3H3InChIKey
QDAGGHWJFVHLEM-UHFFFAOYSA-NSynonyms
1(6(2ethoxynaphthalen1yl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(2ETHOXYNAPHTHALEN1YL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(2ETHOXY1NAPHTHYL)3(ETHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=C(C=CC5=CC=CC=C54)OCC
InChI=1SC27H26N4O3Sc1422(32)3120141091319(20)2425(2827(302924)3563)3426(31)231812871117(18)151621(23)3352h71626H46H213H3
MFCD03080427
ZINC000000684610
ZINC000000684611
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