Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-[4-(cyclopentyloxy)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980062
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(cc1)OC1CCCC1)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 C27H30N4O3S MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O3S/c1-3-4-17-35-27-28-25-24(29-30-27)22-11-7-8-12-23(22)31(18(2)32)26(34-25)19-13-15-21(16-14-19)33-20-9-5-6-10-20/h7-8,11-16,20,26H,3-6,9-10,17H2,1-2H3InChIKey
DZEPSJHJSWPXOZ-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(4(cyclopentyloxy)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(4CYCLOPENTYLOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(BUTYLSULFANYL)6(4(CYCLOPENTYLOXY)PHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)OC5CCCC5)C(=O)C)N=N1
InChI=1SC27H30N4O3Sc134173527282524(293027)2211781223(22)31(18(2)32)26(3425)19131521(161419)33209561020h7811162026H3691017H212H3
MFCD02376825
ZINC000002094810
ZINC000002094812
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