Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980059
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(o1)c1cccc(c1)C(F)(F)F)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 C27H23F3N4O3S MW 540.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F3N4O3S/c1-3-4-14-38-26-31-24-23(32-33-26)19-10-5-6-11-20(19)34(16(2)35)25(37-24)22-13-12-21(36-22)17-8-7-9-18(15-17)27(28,29)30/h5-13,15,25H,3-4,14H2,1-2H3InChIKey
RMNJCUCZMKPSHM-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(5(3(trifluoromethyl)phenyl)furan2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(BUTYLSULFANYL)6(5(3(TRIFLUOROMETHYL)PHENYL)2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=CC(=CC=C5)C(F)(F)F)C(=O)C)N=N1
InChI=1SC27H23F3N4O3Sc134143826312423(323326)1910561120(19)34(16(2)35)25(3724)22131221(3622)1787918(1517)27(2829)30h5131525H3414H212H3
MFCD02376811
ZINC000002094946
ZINC000002094948
Check stock
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