Vitas-M small molecule compound
4-({[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}methyl)cyclohexanecarboxylic acid
Catalog ID
STL553021
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCC3CCC(CC3)C(=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 C31H44N2O5 MW 524.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H44N2O5/c1-4-31(37)16-13-26-24-10-9-22-17-23(11-14-29(22,2)25(24)12-15-30(26,31)3)33-38-19-27(34)32-18-20-5-7-21(8-6-20)28(35)36/h1,17,20-21,24-26,37H,5-16,18-19H2,2-3H3,(H,32,34)(H,35,36)/b33-23-/t20?,21?,24?,25?,26?,29-,30-,31+/m0/s1InChIKey
MUJURHRNYCAJHF-HILCEICKSA-NSynonyms
135640866
4(((((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)amino)methyl)cyclohexanecarboxylicacid
4(((2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)methyl)cyclohexane1carboxylicacid
4((2(((Z)((8R9S10R13S14S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)methyl)cyclohexanecarboxylicacid
InChI=1SC31H44N2O5c1431(37)16132624109221723(111429(222)25(24)121530(2631)3)33381927(34)3218205721(8620)28(35)36h1172021242637H5161819H223H3(H3234)(H3536)b3323t20?21?24?25?26?293031+m0s1
ZINC001772493013
ZINC001772493019
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