Vitas-M small molecule compound
17-{[(E)-(1-methyl-1H-indol-3-yl)methylidene]amino}-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
STL371404
SMILES O=C1N(/N=C/c2cn(c3c2cccc3)C)C(=O)C2C1C1c3ccccc3C2c2c1cccc2
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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 C28H21N3O2 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O2/c1-30-15-16(17-8-6-7-13-22(17)30)14-29-31-27(32)25-23-18-9-2-3-10-19(18)24(26(25)28(31)33)21-12-5-4-11-20(21)23/h2-15,23-26H,1H3/b29-14+InChIKey
ZKPBRBMXYAXLSO-IPPBACCNSA-NSynonyms
17(((E)(1methyl1Hindol3yl)methylidene)amino)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CN1C=C(C2=CC=CC=C21)C=NN3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC28H21N3O2c1301516(178671322(17)30)14293127(32)2523189231019(18)24(26(25)28(31)33)2112541120(21)23h2152326H1H3b2914+
MFCD03716110
O=C1N(N=Cc2cn(c3c2cccc3)C)C(=O)C2C1C1c3ccccc3C2c2c1cccc2
ZINC000014407389
ZINC000018268946
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