Vitas-M small molecule compound
4-(2-{(2E)-2-[4-(benzyloxy)-5-methoxy-2-nitrobenzylidene]hydrazinyl}-5-fluoropyrimidin-4-yl)morpholine
Catalog ID
STK361996
SMILES COc1cc(/C=N/Nc2ncc(c(n2)N2CCOCC2)F)c(cc1OCc1ccccc1)[N+](=O)[O-]
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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 C23H23FN6O5 MW 482.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23FN6O5/c1-33-20-11-17(19(30(31)32)12-21(20)35-15-16-5-3-2-4-6-16)13-26-28-23-25-14-18(24)22(27-23)29-7-9-34-10-8-29/h2-6,11-14H,7-10,15H2,1H3,(H,25,27,28)/b26-13+InChIKey
LBBPSGUXEHTMSN-LGJNPRDNSA-NSynonyms
4(2((2E)2(4(BENZYLOXY)5METHOXY2NITROBENZYLIDENE)HYDRAZINYL)5FLUOROPYRIMIDIN4YL)MORPHOLINE
5fluoroN((E)(5methoxy2nitro4phenylmethoxyphenyl)methylideneamino)4morpholin4ylpyrimidin2amine
COC1=C(C=C(C(=C1)C=NNC2=NC=C(C(=N2)N3CCOCC3)F)(N+)(=O)(O))OCC4=CC=CC=C4
COc1cc(C=NNc2ncc(c(n2)N2CCOCC2)F)c(cc1OCc1ccccc1)(N+)(=O)(O)
InChI=1SC23H23FN6O5c133201117(19(30(31)32)1221(20)3515165324616)13262823251418(24)22(2723)29793410829h261114H71015H21H3(H252728)b2613+
MFCD11852860
ZINC000023382526
ZINC08721551
ZINC8721551
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