Vitas-M small molecule compound
{[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}(phenyl)acetic acid
Catalog ID
STL525049
SMILES O=C(NC(c1ccccc1)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 C31H40N2O5 MW 520.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O5/c1-19(34)24-11-12-25-23-10-9-21-17-22(13-15-30(21,2)26(23)14-16-31(24,25)3)33-38-18-27(35)32-28(29(36)37)20-7-5-4-6-8-20/h4-8,17,23-26,28H,9-16,18H2,1-3H3,(H,32,35)(H,36,37)/b33-22-/t23?,24?,25?,26?,28?,30-,31+/m0/s1InChIKey
ASDBHPOHBLHBDB-GKRXZXRQSA-NSynonyms
((((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)amino)(phenyl)aceticacid
135639010
2((2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)2phenylaceticacid
2(2((((8S9S10R13S14S17S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)2phenylaceticacid
InChI=1SC31H40N2O5c119(34)2411122523109211722(131530(212)26(23)141631(2425)3)33381827(35)3228(29(36)37)207546820h4817232628H91618H213H3(H3235)(H3637)b3322t23?24?25?26?28?3031+m0s1
MFCD02115755
O=C(NC(c1ccccc1)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
ZINC001772491553
ZINC001772491556
Check stock
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Check stock on Vitas-MAvailable files
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