Vitas-M small molecule compound

(20Z)-20-(hydroxyimino)pregn-16-en-3-yl acetate

Catalog ID
STL372835
SMILES O/N=C(\C1=CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)OC(=O)C)/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 C23H35NO3 MW 373.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,16-18,20-21,26H,5-6,8-13H2,1-4H3/b24-14-
InChIKey
RXZQACCASWKYSX-OYKKKHCWSA-N
Synonyms

(17((Z)NhydroxyCmethylcarbonimidoyl)1013dimethyl2345678911121415dodecahydro1Hcyclopenta(a)phenanthren3yl)acetate
(20Z)20(hydroxyimino)pregn16en3ylacetate
(3S5S8R9S10S13S14S)17((Z)1(hydroxyimino)ethyl)1013dimethyl23456789101112131415tetradecahydro1Hcyclopenta(a)phenanthren3ylacetate
CC(=NO)C1=CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C
InChI=1SC23H35NO3c114(2426)1978201865161317(2715(2)25)91122(163)21(18)101223(1920)4h71618202126H56813H214H3b2414
MFCD00809050
ON=C(C1=CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CC(C@@H)(C2)OC(=O)C)C
ON=C(C1=CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)OC(=O)C)C
ZINC000004030702
ZINC000253501156

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Available files

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