Vitas-M small molecule compound
N'-{(E)-[17-(4-fluorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylidene}-2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide (non-preferred name)
Catalog ID
STK281942
SMILES O=C(CC1(C)OCCO1)N/N=C/C12C3C(C(c4c1cccc4)c1c2cccc1)C(=O)N(C3=O)c1ccc(cc1)F
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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 C31H26FN3O5 MW 539.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26FN3O5/c1-30(39-14-15-40-30)16-24(36)34-33-17-31-22-8-4-2-6-20(22)25(21-7-3-5-9-23(21)31)26-27(31)29(38)35(28(26)37)19-12-10-18(32)11-13-19/h2-13,17,25-27H,14-16H2,1H3,(H,34,36)/b33-17+InChIKey
VTOFLBOPQLNSEL-ATZGPIRCSA-NSynonyms
CC1(OCCO1)CC(=O)NN=CC23C4C(C(C5=CC=CC=C52)C6=CC=CC=C36)C(=O)N(C4=O)C7=CC=C(C=C7)F
InChI=1SC31H26FN3O5c130(3914154030)1624(36)3433173122842620(22)25(21735923(21)31)2627(31)29(38)35(28(26)37)19121018(32)111319h213172527H1416H21H3(H3436)b3317+
MFCD04579903
N((E)(17(4fluorophenyl)1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen1yl)methylidene)2(2methyl13dioxolan2yl)acetohydrazide(nonpreferredname
O=C(CC1(C)OCCO1)NN=CC12C3C(C(c4c1cccc4)c1c2cccc1)C(=O)N(C3=O)c1ccc(cc1)F
ZINC000001100026
ZINC000097965498
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