Vitas-M small molecule compound
4-({[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}methyl)cyclohexanecarboxylic acid
Catalog ID
STL552855
SMILES O=C(NCC1CCC(CC1)C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[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 C31H46N2O5 MW 526.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H46N2O5/c1-19(34)25-10-11-26-24-9-8-22-16-23(12-14-30(22,2)27(24)13-15-31(25,26)3)33-38-18-28(35)32-17-20-4-6-21(7-5-20)29(36)37/h16,20-21,24-27H,4-15,17-18H2,1-3H3,(H,32,35)(H,36,37)/b33-23-/t20?,21?,24?,25?,26?,27?,30-,31+/m0/s1InChIKey
OHKMMRFDDARHMY-NLXFXKOFSA-NSynonyms
135640857
4(((((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)amino)methyl)cyclohexanecarboxylicacid
4(((2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)methyl)cyclohexane1carboxylicacid
4((2((((8S9S10R13S14S17S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)methyl)cyclohexanecarboxylicacid
InChI=1SC31H46N2O5c119(34)251011262498221623(121430(222)27(24)131531(2526)3)33381828(35)3217204621(7520)29(36)37h1620212427H4151718H213H3(H3235)(H3637)b3323t20?21?24?25?26?27?3031+m0s1
O=C(NCC1CCC(CC1)C(=O)O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2C(=O)C)C)C
ZINC000504028296
ZINC001772493137
Check stock
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Check stock on Vitas-MAvailable files
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