Vitas-M small molecule compound
4-[1-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Catalog ID
STL365903
SMILES O=C(N1CCN(CC1)c1ccccc1)CSc1nnc(n1C)C(N1C(=O)COc2c1cccc2)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 C25H28N6O3S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N6O3S/c1-18(31-20-10-6-7-11-21(20)34-16-22(31)32)24-26-27-25(28(24)2)35-17-23(33)30-14-12-29(13-15-30)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3InChIKey
HMHKFCXOVZGHLT-UHFFFAOYSA-NSynonyms
4(1(4methyl5((2oxo2(4phenylpiperazin1yl)ethyl)sulfanyl)4H124triazol3yl)ethyl)2H14benzoxazin3(4H)one
4(1(4methyl5(2oxo2(4phenylpiperazin1yl)ethyl)sulfanyl124triazol3yl)ethyl)14benzoxazin3one
CC(C1=NN=C(N1C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)N4C(=O)COC5=CC=CC=C54
InChI=1SC25H28N6O3Sc118(312010671121(20)341622(31)32)24262725(28(24)2)351723(33)30141229(131530)198435919h31118H1217H212H3
MFCD27221667
ZINC000015019693
ZINC000015019694
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