Vitas-M small molecule compound
N-[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]phenylalanine
Catalog ID
STL524557
SMILES O=C(NC(C(=O)O)Cc1ccccc1)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)25-11-12-26-24-10-9-22-18-23(13-15-31(22,2)27(24)14-16-32(25,26)3)34-39-19-29(36)33-28(30(37)38)17-21-7-5-4-6-8-21/h4-8,18,24-28H,9-17,19H2,1-3H3,(H,33,36)(H,37,38)/b34-23-/t24?,25?,26?,27?,28?,31-,32+/m0/s1InChIKey
CYWWELYHCZFKIG-KHKJMKHMSA-NSynonyms
16396887
2((2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylpropanoicacid
2(2((((10R13S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3phenylpropanoicacid
InChI=1SC32H42N2O5c120(35)2511122624109221823(131531(222)27(24)141632(2526)3)34391929(36)3328(30(37)38)17217546821h48182428H91719H213H3(H3336)(H3738)b3423t24?25?26?27?28?3132+m0s1
MFCD02115180
N(((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)phenylalanine
O=C(NC(C(=O)O)Cc1ccccc1)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2C(=O)C)C)C
ZINC000012659617
ZINC000257372799
Check stock
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