Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]aspartic acid
Catalog ID
STL548258
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)CC(=O)O)/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 C27H36N2O7 MW 500.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O7/c1-4-27(35)12-9-20-18-6-5-16-13-17(7-10-25(16,2)19(18)8-11-26(20,27)3)29-36-15-22(30)28-21(24(33)34)14-23(31)32/h1,13,18-21,35H,5-12,14-15H2,2-3H3,(H,28,30)(H,31,32)(H,33,34)/b29-17+/t18?,19?,20?,21?,25-,26-,27+/m0/s1InChIKey
ZNPMAJFFZNNVII-MXEXOAHVSA-NSynonyms
16398185
2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)butanedioicacid
2(2(((E)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)succinicacid
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NC(C(=O)O)CC(=O)O)CC(C@)12C
InChI=1SC27H36N2O7c1427(35)129201865161317(71025(162)19(18)81126(2027)3)29361522(30)2821(24(33)34)1423(31)32h113182135H5121415H223H3(H2830)(H3132)(H3334)b2917+t18?19?20?21?252627+m0s1
MFCD03660915
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)asparticacid
ZINC000009033643
ZINC000253500209
Check stock
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