Vitas-M small molecule compound

(3E,8xi,9xi,14xi,16alpha,20Z)-16-ethyl-N~3~,N~20~-dihydroxypregn-4-ene-3,20-diimine

Catalog ID
STK675334
SMILES CC[C@@H]1CC2[C@]([C@H]1/C(=N\O)/C)(C)CCC1C2CCC2=C/C(=N/O)/CC[C@]12C

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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 C23H36N2O2 MW 372.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H36N2O2/c1-5-15-12-20-18-7-6-16-13-17(25-27)8-10-22(16,3)19(18)9-11-23(20,4)21(15)14(2)24-26/h13,15,18-21,26-27H,5-12H2,1-4H3/b24-14-,25-17+/t15-,18?,19?,20?,21+,22+,23+/m1/s1
InChIKey
GIIPSNRPRUJDDZ-DZQOGMGQSA-N
Synonyms

(3E8xi9xi14xi16alpha20Z)16ethylN~3~N~20~dihydroxypregn4ene320diimine
(3E8XI9XI14XI16ALPHA20Z)16ETHYLN3N20DIHYDROXYPREGN4ENE320DIIMINE
(NZ)N(1((3E10R13S16R17S)16ethyl3hydroxyimino1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)ethylidene)hydroxylamine
CC(C@@H)1CC2(C@)((C@H)1C(=NO)C)(C)CCC1C2CCC2=CC(=NO)CC(C@)12C
CCC1CC2C3CCC4=CC(=NO)CCC4(C3CCC2(C1C(=NO)C)C)C
InChI=1SC23H36N2O2c151512201876161317(2527)81022(163)19(18)91123(204)21(15)14(2)2426h131518212627H512H214H3b24142517+t1518?19?20?21+22+23+m1s1
MFCD01572073
ZINC000012412594
ZINC000253505593

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Available files

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