Vitas-M small molecule compound
1-{(E)-[2-(1H-benzimidazol-2-yl)hydrazinylidene]methyl}-17-(2-chlorophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STK256917
SMILES Clc1ccccc1N1C(=O)C2C(C1=O)C1(/C=N/Nc3nc4c([nH]3)cccc4)c3c(C2c2c1cccc2)cccc3
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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 C32H22ClN5O2 MW 544.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H22ClN5O2/c33-22-13-5-8-16-25(22)38-29(39)27-26-18-9-1-3-11-20(18)32(28(27)30(38)40,21-12-4-2-10-19(21)26)17-34-37-31-35-23-14-6-7-15-24(23)36-31/h1-17,26-28H,(H2,35,36,37)/b34-17+InChIKey
KDICSMTUWYWHKK-KVAAJVFYSA-NSynonyms
1((E)(2(1Hbenzimidazol2yl)hydrazinylidene)methyl)17(2chlorophenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=NNC6=NC7=CC=CC=C7N6)C(=O)N(C4=O)C8=CC=CC=C8Cl
Clc1ccccc1N1C(=O)C2C(C1=O)C1(C=NNc3nc4c((nH)3)cccc4)c3c(C2c2c1cccc2)cccc3
InChI=1SC32H22ClN5O2c332213581625(22)3829(39)2726189131120(18)32(28(27)30(38)402112421019(21)26)17343731352314671524(23)3631h1172628H(H2353637)b3417+
MFCD06668762
ZINC000097965439
ZINC000097965442
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