Vitas-M small molecule compound
N-[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]alanylnorleucine
Catalog ID
STL525912
SMILES CCCCC(C(=O)O)NC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)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 C32H49N3O7 MW 587.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H49N3O7/c1-6-7-8-26(29(39)40)34-28(38)19(2)33-27(37)18-42-35-22-11-14-30(4)21(17-22)9-10-23-24(30)12-15-31(5)25(23)13-16-32(31,41)20(3)36/h17,19,23-26,41H,6-16,18H2,1-5H3,(H,33,37)(H,34,38)(H,39,40)/b35-22-/t19?,23?,24?,25?,26?,30-,31-,32-/m0/InChIKey
VPBDKCJWEFIYJT-AHPJCGPFSA-NSynonyms
2(2((2((~(Z))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoylamino)hexanoicacid
2(2(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)propanamido)hexanoicacid
44661914
CCCCC(C(=O)O)NC(=O)C(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)C
InChI=1SC32H49N3O7c167826(29(39)40)3428(38)19(2)3327(37)18423522111430(4)21(1722)9102324(30)121531(5)25(23)131632(3141)20(3)36h1719232641H61618H215H3(H3337)(H3438)(H3940)b3522t19?23?24?25?26?303132m0s1
MFCD02115701
N(((((3Z8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)alanylnorleucine
ZINC000257361269
ZINC000257361272
Check stock
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Check stock on Vitas-MAvailable files
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