Vitas-M small molecule compound
1-{6-[5-(4-chlorophenyl)furan-2-yl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Catalog ID
STK521232
SMILES CCSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1)Cl)N(c1c2cccc1)C(=O)CC
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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 C25H21ClN4O3S MW 492.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O3S/c1-3-21(31)30-18-8-6-5-7-17(18)22-23(27-25(29-28-22)34-4-2)33-24(30)20-14-13-19(32-20)15-9-11-16(26)12-10-15/h5-14,24H,3-4H2,1-2H3InChIKey
JOVFLAGZBFFMTC-UHFFFAOYSA-NSynonyms
1(6(5(4chlorophenyl)furan2yl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(5(4chlorophenyl)furan2yl)3ethylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)propan1one
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC=C(O4)C5=CC=C(C=C5)Cl
InChI=1SC25H21ClN4O3Sc1321(31)3018865717(18)2223(2725(292822)3442)3324(30)20141319(3220)1591116(26)121015h51424H34H212H3
MFCD04230749
ZINC000015016120
ZINC000015016121
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