Vitas-M small molecule compound
N-[({[(3E,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]threonine
Catalog ID
STL531013
SMILES O=C(NC(C(=O)O)C(O)C)CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[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 C27H40N2O6 MW 488.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N2O6/c1-15(30)20-7-8-21-19-6-5-17-13-18(9-11-26(17,3)22(19)10-12-27(20,21)4)29-35-14-23(32)28-24(16(2)31)25(33)34/h13,16,19-22,24,31H,5-12,14H2,1-4H3,(H,28,32)(H,33,34)/b29-18+/t16?,19-,20?,21?,22?,24?,26-,27+/m0/s1InChIKey
PDHOCZMPAGFXIP-YFIZVIANSA-NSynonyms
2((2((~(E))((8~(S)10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3hydroxybutanoicacid
2(2((((8S9S10R13S14S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3hydroxybutanoicacid
56698864
InChI=1SC27H40N2O6c115(30)2078211965171318(91126(173)22(19)101227(2021)4)29351423(32)2824(16(2)31)25(33)34h131619222431H51214H214H3(H2832)(H3334)b2918+t16?1920?21?22?24?2627+m0s1
N(((((3E9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)threonine
O=C(NC(C(=O)O)C(O)C)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CCC2C(=O)C)C)C
ZINC000253531336
ZINC000253531339
Check stock
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Check stock on Vitas-MAvailable files
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