Vitas-M small molecule compound

(16E)-16-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]androst-5-ene-3,17-diol

Catalog ID
STL395799
SMILES CCn1ncc(c1C)/C=C/1\CC2C(C1O)(C)CCC1C2CC=C2C1(C)CCC(C2)O

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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 C26H38N2O2 MW 410.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N2O2/c1-5-28-16(2)18(15-27-28)12-17-13-23-21-7-6-19-14-20(29)8-10-25(19,3)22(21)9-11-26(23,4)24(17)30/h6,12,15,20-24,29-30H,5,7-11,13-14H2,1-4H3/b17-12+
InChIKey
VKRFPVDWWWRUGS-SFQUDFHCSA-N
Synonyms

(16E)16((1ETHYL5METHYL1HPYRAZOL4YL)METHYLIDENE)ANDROST5ENE317DIOL
(16E)16((1ethyl5methylpyrazol4yl)methylidene)1013dimethyl12347891112141517dodecahydrocyclopenta(a)phenanthrene317diol
CCN1C(=C(C=N1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2O)C)C)O)C
CCn1ncc(c1C)C=C1CC2C(C1O)(C)CCC1C2CC=C2C1(C)CCC(C2)O
InChI=1SC26H38N2O2c152816(2)18(152728)121713232176191420(29)81025(193)22(21)91126(234)24(17)30h6121520242930H57111314H214H3b1712+
MFCD28952554
ZINC000147163816
ZINC000245240950
ZINC000253534551

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Available files

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