Vitas-M small molecule compound
methyl N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]histidinate
Catalog ID
STL524460
SMILES COC(=O)C(Cc1c[nH]cn1)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 C28H40N4O5 MW 512.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N4O5/c1-27-10-8-18(32-37-15-25(34)31-23(26(35)36-3)13-19-14-29-16-30-19)12-17(27)4-5-20-21-6-7-24(33)28(21,2)11-9-22(20)27/h12,14,16,20-24,33H,4-11,13,15H2,1-3H3,(H,29,30)(H,31,34)/b32-18+/t20?,21?,22?,23?,24?,27-,28-/m0/s1InChIKey
PJPCYEHVXAIXOO-ZSEQXYJESA-NSynonyms
135638945
COC(=O)C(Cc1c(nH)cn1)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=1SC28H40N4O5c12710818(32371525(34)3123(26(35)363)13191429163019)1217(27)4520216724(33)28(212)11922(20)27h121416202433H4111315H213H3(H2930)(H3134)b3218+t20?21?22?23?24?2728m0s1
methyl2((2((~(E))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)imidazol5yl)propanoate
methyl2(2(((E)((8R9S10R13S14S17R)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(1Himidazol4yl)propanoate
methylN(((((3E8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)histidinate
MFCD01881259
ZINC001772491786
ZINC001772491789
Check stock
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