Vitas-M small molecule compound
(17E)-17-{(2E)-[4-(diethylamino)benzylidene]hydrazinylidene}estra-1,3,5(10)-trien-3-ol
Catalog ID
STL176449
SMILES CCN(c1ccc(cc1)/C=N/N=C/1\CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)CC
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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 C29H37N3O MW 443.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O/c1-4-32(5-2)22-9-6-20(7-10-22)19-30-31-28-15-14-27-26-12-8-21-18-23(33)11-13-24(21)25(26)16-17-29(27,28)3/h6-7,9-11,13,18-19,25-27,33H,4-5,8,12,14-17H2,1-3H3/b30-19+,31-28+InChIKey
XLLVCEWUWMRFCJ-NCVRPSOZSA-NSynonyms
(17E)17((2E)(4(diethylamino)benzylidene)hydrazinylidene)estra135(10)trien3ol
(17E)17((E)(4(diethylamino)phenyl)methylidenehydrazinylidene)13methyl7891112141516octahydro6Hcyclopenta(a)phenanthren3ol
CCN(c1ccc(cc1)C=NN=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)CC
CCN(CC)C1=CC=C(C=C1)C=NN=C2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C
InChI=1SC29H37N3Oc1432(52)229620(71022)1930312815142726128211823(33)111324(21)25(26)161729(2728)3h67911131819252733H458121417H213H3b3019+3128+
MFCD04048805
ZINC000020602265
ZINC000252430996
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