Vitas-M small molecule compound
methyl {[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}(phenyl)acetate
Catalog ID
STL524854
SMILES COC(=O)C(c1ccccc1)NC(=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 C32H42N2O5 MW 534.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N2O5/c1-20(35)25-12-13-26-24-11-10-22-18-23(14-16-31(22,2)27(24)15-17-32(25,26)3)34-39-19-28(36)33-29(30(37)38-4)21-8-6-5-7-9-21/h5-9,18,24-27,29H,10-17,19H2,1-4H3,(H,33,36)/b34-23-/t24?,25?,26?,27?,29?,31-,32+/m0/s1InChIKey
UDTIWETZANRPHP-VCJJWDMZSA-NSynonyms
135638986
COC(=O)C(c1ccccc1)NC(=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
InChI=1SC32H42N2O5c120(35)25121326241110221823(141631(222)27(24)151732(2526)3)34391928(36)3329(30(37)384)218657921h5918242729H101719H214H3(H3336)b3423t24?25?26?27?29?3132+m0s1
methyl((((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)amino)(phenyl)acetate
methyl2((2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)2phenylacetate
methyl2(2((((8S9S10R13S14S17S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)2phenylacetate
MFCD02115695
ZINC001772491822
ZINC001772491830
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.