Vitas-M small molecule compound
(3Z,5alpha,8xi,9xi,14xi,20Z)-N~3~,N~20~-dihydroxypregn-16-ene-3,20-diimine
Catalog ID
STL546201
SMILES O/N=C\1/CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2/C(=N\O)/C)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 C21H32N2O2 MW 344.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32N2O2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23-25)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14,16,18-19,24-25H,4-5,7-12H2,1-3H3/b22-13-,23-15-/t14-,16?,18?,19?,20-,21+/m0/s1InChIKey
QPVTWJVYONZWBL-CMWNNIDUSA-NSynonyms
(~(N)~(Z))~(N)(1((3~(Z)5~(S)10~(S)13~(S))3hydroxyimino1013dimethyl1245678911121415dodecahydrocyclopenta(a)phenanthren17yl)ethylidene)hydroxylamine
(3Z5alpha8xi9xi14xi20Z)N~3~N~20~dihydroxypregn16ene320diimine
(3Z5ALPHA8XI9XI14XI20Z)N3N20DIHYDROXYPREGN16ENE320DIIMINE
(5S10S13SZ)17((Z)1(hydroxyimino)ethyl)1013dimethyl456789101112131415dodecahydro1Hcyclopenta(a)phenanthren3(2H)oneoxime
16397995
InChI=1SC21H32N2O2c113(2224)1767181654141215(2325)81020(142)19(16)91121(1718)3h6141618192425H45712H213H3b22132315t1416?18?19?2021+m0s1
MFCD02057146
ON=C1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CC=C2C(=NO)C)C)C
ZINC000000488152
ZINC000253499886
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