Vitas-M small molecule compound

methyl 4-hydroxy-1-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]prolinate

Catalog ID
STL525144
SMILES COC(=O)C1CC(CN1C(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C)O

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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 C27H40N2O6 MW 488.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N2O6/c1-26-10-8-17(28-35-15-24(32)29-14-18(30)13-22(29)25(33)34-3)12-16(26)4-5-19-20-6-7-23(31)27(20,2)11-9-21(19)26/h12,18-23,30-31H,4-11,13-15H2,1-3H3/b28-17+/t18?,19?,20?,21?,22?,23?,26-,27-/m0/s1
InChIKey
RKYPLHATGRPXGA-AWIFYATCSA-N
Synonyms

16396756
COC(=O)C1CC(CN1C(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2O)C)C)O
InChI=1SC27H40N2O6c12610817(28351524(32)291418(30)1322(29)25(33)343)1216(26)4519206723(31)27(202)11921(19)26h1218233031H4111315H213H3b2817+t18?19?20?21?22?23?2627m0s1
methyl4hydroxy1(((((3E8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)prolinate
methyl4hydroxy1(2((((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)pyrrolidine2carboxylate
methyl4hydroxy1(2((~(E))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)pyrrolidine2carboxylate
MFCD02058500
ZINC000257372877
ZINC000257372880

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Available files

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