Vitas-M small molecule compound

methyl {[({[(3Z,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]amino}(phenyl)acetate

Catalog ID
STL525237
SMILES COC(=O)C(c1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)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 C30H40N2O5 MW 508.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O5/c1-29-15-13-21(32-37-18-26(34)31-27(28(35)36-3)19-7-5-4-6-8-19)17-20(29)9-10-22-23-11-12-25(33)30(23,2)16-14-24(22)29/h4-8,17,22-25,27,33H,9-16,18H2,1-3H3,(H,31,34)/b32-21-/t22?,23?,24?,25?,27?,29-,30-/m0/s1
InChIKey
HSDUZLDYSMQAPM-YBCVDQBYSA-N
Synonyms

135639035
COC(=O)C(c1ccccc1)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@H)2O)C)C
InChI=1SC30H40N2O5c129151321(32371826(34)3127(28(35)363)197546819)1720(29)9102223111225(33)30(232)161424(22)29h481722252733H91618H213H3(H3134)b3221t22?23?24?25?27?2930m0s1
methyl((((((3Z8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)amino)(phenyl)acetate
methyl2((2((~(Z))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)2phenylacetate
methyl2(2(((Z)((8R9S10R13S14S17R)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)2phenylacetate
MFCD02057743
ZINC001772491576
ZINC001772491579

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Available files

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