Vitas-M small molecule compound

N-(furan-2-ylmethyl)-2-({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide

Catalog ID
STL553049
SMILES O=C(NCc1ccco1)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2(O)C(=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 C28H38N2O5 MW 482.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O5/c1-18(31)28(33)13-10-24-22-7-6-19-15-20(8-11-26(19,2)23(22)9-12-27(24,28)3)30-35-17-25(32)29-16-21-5-4-14-34-21/h4-5,14-15,22-24,33H,6-13,16-17H2,1-3H3,(H,29,32)/b30-20+/t22?,23?,24?,26-,27-,28?/m0/s1
InChIKey
FNQKKPWLDFTWMB-DPXSHCICSA-N
Synonyms

135640868
2(((E)((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(furan2ylmethyl)acetamide
2((~(E))((10~(R)13~(S))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(furan2ylmethyl)acetamide
InChI=1SC28H38N2O5c118(31)28(33)1310242276191520(81126(192)23(22)91227(2428)3)30351725(32)29162154143421h451415222433H6131617H213H3(H2932)b3020+t22?23?24?262728?m0s1
N(furan2ylmethyl)2((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetamide
O=C(NCc1ccco1)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C
ZINC000504326771
ZINC001772492967

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.