Vitas-M small molecule compound

N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]glycine

Catalog ID
STL527616
SMILES O=C(NCC(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=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 C25H36N2O6 MW 460.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N2O6/c1-15(28)25(32)11-8-20-18-5-4-16-12-17(27-33-14-21(29)26-13-22(30)31)6-9-23(16,2)19(18)7-10-24(20,25)3/h12,18-20,32H,4-11,13-14H2,1-3H3,(H,26,29)(H,30,31)/b27-17+/t18?,19?,20?,23-,24-,25-/m0/s1
InChIKey
MAPFPOBNGDJZDM-LGYJCJEYSA-N
Synonyms

135639292
2((2((~(E))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)aceticacid
2(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)aceticacid
InChI=1SC25H36N2O6c115(28)25(32)118201854161217(27331421(29)261322(30)31)6923(162)19(18)71024(2025)3h12182032H4111314H213H3(H2629)(H3031)b2717+t18?19?20?232425m0s1
MFCD03660310
N(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)glycine
O=C(NCC(=O)O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C
ZINC001772492178
ZINC001772492181

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Available files

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