Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]threonine
Catalog ID
STL527649
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)C(O)C)/CC[C@]12C
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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 C27H38N2O6 MW 486.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O6/c1-5-27(34)13-10-21-19-7-6-17-14-18(8-11-25(17,3)20(19)9-12-26(21,27)4)29-35-15-22(31)28-23(16(2)30)24(32)33/h1,14,16,19-21,23,30,34H,6-13,15H2,2-4H3,(H,28,31)(H,32,33)/b29-18+/t16?,19?,20?,21?,23?,25-,26-,27+/m0/s1InChIKey
ZPIRFHWAOIDNJC-HRMHEOQCSA-NSynonyms
16398075
2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3hydroxybutanoicacid
2(2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3hydroxybutanoicacid
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NC(C(=O)O)C(O)C)CC(C@)12C
InChI=1SC27H38N2O6c1527(34)1310211976171418(81125(173)20(19)91226(2127)4)29351522(31)2823(16(2)30)24(32)33h114161921233034H61315H224H3(H2831)(H3233)b2918+t16?19?20?21?23?252627+m0s1
MFCD03660319
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)threonine
ZINC000009033543
ZINC000257372912
Check stock
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