Vitas-M small molecule compound
N-[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]alanylnorvaline
Catalog ID
STL524618
SMILES CCCC(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 C31H47N3O7 MW 573.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H47N3O7/c1-6-7-25(28(38)39)33-27(37)18(2)32-26(36)17-41-34-21-10-13-29(4)20(16-21)8-9-22-23(29)11-14-30(5)24(22)12-15-31(30,40)19(3)35/h16,18,22-25,40H,6-15,17H2,1-5H3,(H,32,36)(H,33,37)(H,38,39)/b34-21-/t18?,22?,23?,24?,25?,29-,30-,31-/m0/s1InChIKey
JLJKKFQQVJVIEC-BOIQLTCTSA-NSynonyms
2(2((2((~(Z))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoylamino)pentanoicacid
2(2(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)propanamido)pentanoicacid
44663845
CCCC(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=1SC31H47N3O7c16725(28(38)39)3327(37)18(2)3226(36)17413421101329(4)20(1621)892223(29)111430(5)24(22)121531(3040)19(3)35h1618222540H61517H215H3(H3236)(H3337)(H3839)b3421t18?22?23?24?25?293031m0s1
MFCD02115364
N(((((3Z8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)alanylnorvaline
ZINC000253503188
ZINC000253503195
Check stock
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