Vitas-M small molecule compound

methyl N-[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tyrosinate

Catalog ID
STL524892
SMILES COC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=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 C33H44N2O7 MW 580.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O7/c1-20(36)33(40)16-13-27-25-10-7-22-18-23(11-14-31(22,2)26(25)12-15-32(27,33)3)35-42-19-29(38)34-28(30(39)41-4)17-21-5-8-24(37)9-6-21/h5-6,8-9,18,25-28,37,40H,7,10-17,19H2,1-4H3,(H,34,38)/b35-23-/t25?,26?,27?,28?,31-,32-,33-/m0/s1
InChIKey
XEFDQOVOXZCKIH-DSEGZLOQSA-N
Synonyms

44662090
COC(=O)C(Cc1ccc(cc1)O)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C
InChI=1SC33H44N2O7c120(36)33(40)16132725107221823(111431(222)26(25)121532(2733)3)35421929(38)3428(30(39)414)17215824(37)9621h56891825283740H7101719H214H3(H3438)b3523t25?26?27?28?313233m0s1
methyl2((2((~(Z))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(4hydroxyphenyl)propanoate
methyl2(2(((Z)((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(4hydroxyphenyl)propanoate
methylN(((((3Z8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)tyrosinate
MFCD01881127
ZINC000253506754
ZINC000253506764

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Available files

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