Vitas-M small molecule compound
(17E)-17-{(2E)-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinylidene}estra-1,3,5(10)-trien-3-ol
Catalog ID
STK960927
SMILES Oc1ccc2c(c1)CCC1C2CCC2(C1CC/C/2=N\N=C\c1c(C)nn(c1C)c1ccccc1)C
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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 C30H34N4O MW 466.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O/c1-19-27(20(2)34(33-19)22-7-5-4-6-8-22)18-31-32-29-14-13-28-26-11-9-21-17-23(35)10-12-24(21)25(26)15-16-30(28,29)3/h4-8,10,12,17-18,25-26,28,35H,9,11,13-16H2,1-3H3/b31-18+,32-29+InChIKey
LDTJLMXPRPQLOJ-XYSCWCQWSA-NSynonyms
1192742-35-0(17E)17((2E)((35dimethyl1phenyl1Hpyrazol4yl)methylidene)hydrazinylidene)estra135(10)trien3ol
(17E)17((E)(35dimethyl1phenylpyrazol4yl)methylidenehydrazinylidene)13methyl7891112141516octahydro6Hcyclopenta(a)phenanthren3ol
1192742350
35DIMETHYL1PHENYL1HPYRAZOLE4CARBALDEHYDE(3HYDROXYESTRA135(10)TRIEN17YLIDENE)HYDRAZONE
CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN=C3CCC4C3(CCC5C4CCC6=C5C=CC(=C6)O)C
InChI=1SC30H34N4Oc11927(20(2)34(3319)227546822)1831322914132826119211723(35)101224(21)25(26)151630(2829)3h481012171825262835H9111316H213H3b3118+3229+
MFCD02243519
Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2=NN=Cc1c(C)nn(c1C)c1ccccc1)C
ZINC000017143391
ZINC000111052900
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