Vitas-M small molecule compound
ethyl (2Z)-2-[(8xi,9xi,14xi,20Z)-3-hydroxypregna-5,16-dien-20-ylidene]hydrazinecarboxylate
Catalog ID
STL524937
SMILES CCOC(=O)N/N=C(\C1=CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)O)/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 C24H36N2O3 MW 400.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36N2O3/c1-5-29-22(28)26-25-15(2)19-8-9-20-18-7-6-16-14-17(27)10-12-23(16,3)21(18)11-13-24(19,20)4/h6,8,17-18,20-21,27H,5,7,9-14H2,1-4H3,(H,26,28)/b25-15-/t17?,18?,20?,21?,23-,24+/m0/s1InChIKey
LJXRMMRZNQCIDI-SNJSLWFMSA-NSynonyms
(Z)ethyl2(1((10R13S)3hydroxy1013dimethyl234789101112131415dodecahydro1Hcyclopenta(a)phenanthren17yl)ethylidene)hydrazinecarboxylate
16396142
CCOC(=O)NN=C(C1=CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC(C2)O)C
ethyl(2Z)2((8xi9xi14xi20Z)3hydroxypregna516dien20ylidene)hydrazinecarboxylate
ethyl~(N)((~(Z))1((10~(R)13~(S))3hydroxy1013dimethyl23478911121415decahydro1~(H)cyclopenta(a)phenanthren17yl)ethylideneamino)carbamate
InChI=1SC24H36N2O3c152922(28)262515(2)1989201876161417(27)101223(163)21(18)111324(1920)4h681718202127H57914H214H3(H2628)b2515t17?18?20?21?2324+m0s1
MFCD01547852
ZINC000012657596
ZINC000253499618
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