Vitas-M small molecule compound
beta-hydroxy-N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]-3-nitrophenylalanine
Catalog ID
STL527125
SMILES O=C(NC(C(c1cccc(c1)[N+](=O)[O-])O)C(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)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 C30H39N3O8 MW 569.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O8/c1-29-12-10-19(15-18(29)6-7-21-22-8-9-24(34)30(22,2)13-11-23(21)29)32-41-16-25(35)31-26(28(37)38)27(36)17-4-3-5-20(14-17)33(39)40/h3-5,14-15,21-24,26-27,34,36H,6-13,16H2,1-2H3,(H,31,35)(H,37,38)/b32-19+/t21?,22?,23?,24?,26?,27?,29-,30-InChIKey
VYRFMNAIRGMYOQ-AIQMEUMZSA-NSynonyms
16397904
3hydroxy2((2((~(E))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(3nitrophenyl)propanoicacid
3hydroxy2(2((((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(3nitrophenyl)propanoicacid
betahydroxyN(((((3E8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)3nitrophenylalanine
InChI=1SC30H39N3O8c129121019(1518(29)6721228924(34)30(222)131123(21)29)32411625(35)3126(28(37)38)27(36)1743520(1417)33(39)40h351415212426273436H61316H212H3(H3135)(H3738)b3219+t21?22?23?24?26?27?2930m0s1
MFCD03267864
O=C(NC(C(c1cccc(c1)(N+)(=O)(O))O)C(=O)O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2O)C)C
ZINC000070673000
ZINC000253501694
Check stock
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Check stock on Vitas-MAvailable files
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