Vitas-M small molecule compound
(16E)-16-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]androstan-17-one
Catalog ID
STL395738
SMILES Cn1nc(c(c1)/C=C/1\CC2C(C1=O)(C)CCC1C2CCC2C1(C)CCCC2)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 C25H36N2O MW 380.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N2O/c1-16-18(15-27(4)26-16)13-17-14-22-20-9-8-19-7-5-6-11-24(19,2)21(20)10-12-25(22,3)23(17)28/h13,15,19-22H,5-12,14H2,1-4H3/b17-13+InChIKey
KVDDTNQRMJYZPQ-GHRIWEEISA-NSynonyms
(16E)16((13DIMETHYL1HPYRAZOL4YL)METHYLIDENE)ANDROSTAN17ONE
(16E)16((13dimethylpyrazol4yl)methylidene)1013dimethyl2345678911121415dodecahydro1Hcyclopenta(a)phenanthren17one
CC1=NN(C=C1C=C2CC3C4CCC5CCCCC5(C4CCC3(C2=O)C)C)C
Cn1nc(c(c1)C=C1CC2C(C1=O)(C)CCC1C2CCC2C1(C)CCCC2)C
InChI=1SC25H36N2Oc11618(1527(4)2616)131714222098197561124(192)21(20)101225(223)23(17)28h13151922H51214H214H3b1713+
MFCD28952551
ZINC000006527195
ZINC000118921971
ZINC000253534527
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