Vitas-M small molecule compound

1-[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]proline

Catalog ID
STL525147
SMILES O=C(N1CCCC1C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=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 C28H40N2O5 MW 484.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N2O5/c1-17(31)21-8-9-22-20-7-6-18-15-19(10-12-27(18,2)23(20)11-13-28(21,22)3)29-35-16-25(32)30-14-4-5-24(30)26(33)34/h15,20-24H,4-14,16H2,1-3H3,(H,33,34)/b29-19-/t20?,21?,22?,23?,24?,27-,28+/m0/s1
InChIKey
PGVFNGOKIOIAPY-SZPCYNGASA-N
Synonyms

1(((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)proline
1(2((((8S9S10R13S14S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)pyrrolidine2carboxylicacid
1(2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)pyrrolidine2carboxylicacid
135639024
InChI=1SC28H40N2O5c117(31)2189222076181519(101227(182)23(20)111328(2122)3)29351625(32)30144524(30)26(33)34h152024H41416H213H3(H3334)b2919t20?21?22?23?24?2728+m0s1
MFCD02115255
O=C(N1CCCC1C(=O)O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CCC2C(=O)C)C)C
ZINC001772491641
ZINC001772491644

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Available files

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