Vitas-M small molecule compound
(16E)-3-methoxy-16-[(1-propyl-1H-pyrazol-5-yl)methylidene]estra-1(10),2,4-trien-17-one
Catalog ID
STL398301
SMILES CCCn1nccc1/C=C/1\CC2C(C1=O)(C)CCC1C2CCc2c1ccc(c2)OC
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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 C26H32N2O2 MW 404.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O2/c1-4-13-28-19(10-12-27-28)14-18-16-24-23-7-5-17-15-20(30-3)6-8-21(17)22(23)9-11-26(24,2)25(18)29/h6,8,10,12,14-15,22-24H,4-5,7,9,11,13,16H2,1-3H3/b18-14+InChIKey
JCOSBAWMYWWBFV-NBVRZTHBSA-NSynonyms
(16E)3methoxy13methyl16((2propylpyrazol3yl)methylidene)678911121415octahydrocyclopenta(a)phenanthren17one
(16E)3METHOXY16((1PROPYL1HPYRAZOL5YL)METHYLIDENE)ESTRA1(10)24TRIEN17ONE
CCCN1C(=CC=N1)C=C2CC3C4CCC5=C(C4CCC3(C2=O)C)C=CC(=C5)OC
CCCn1nccc1C=C1CC2C(C1=O)(C)CCC1C2CCc2c1ccc(c2)OC
InChI=1SC26H32N2O2c14132819(10122728)141816242375171520(303)6821(17)22(23)91126(242)25(18)29h68101214152224H4579111316H213H3b1814+
MFCD10702023
ZINC000036619597
ZINC000252427878
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