Vitas-M small molecule compound
(2E)-2-{[17-(4-ethoxyphenyl)-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}hydrazinecarboxamide (non-preferred name)
Catalog ID
STL337141
SMILES CCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1(/C=N/NC(=O)N)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 C28H24N4O4 MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O4/c1-2-36-17-13-11-16(12-14-17)32-25(33)23-22-18-7-3-5-9-20(18)28(24(23)26(32)34,15-30-31-27(29)35)21-10-6-4-8-19(21)22/h3-15,22-24H,2H2,1H3,(H3,29,31,35)/b30-15+InChIKey
JYTQCFBDNVXBDG-FJEPWZHXSA-NSynonyms
470708-40-8(2E)2((17(4ethoxyphenyl)1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen1yl)methylidene)hydrazinecarboxamide(nonpreferredname)
(E)2(((9r10r)13(4ethoxyphenyl)1214dioxo101112131415hexahydro9H910(34)epipyrroloanthracen9yl)methylene)hydrazinecarboxamide
470708408
CCOC1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C=NNC(=O)N
CCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1(C=NNC(=O)N)c3c(C2c2c1cccc2)cccc3
InChI=1SC28H24N4O4c123617131116(121417)3225(33)232218735920(18)28(24(23)26(32)3415303127(29)35)211064819(21)22h3152224H2H21H3(H3293135)b3015+
MFCD00760643
ZINC000002204920
ZINC000013659162
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