Vitas-M small molecule compound
beta-hydroxy-N-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]phenylalanine
Catalog ID
STL541548
SMILES O=C(NC(C(c1ccccc1)O)C(=O)O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)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 C31H40N2O6 MW 536.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O6/c1-29-14-11-21(33-39-18-25(34)32-26(28(36)37)27(35)19-7-5-4-6-8-19)17-20(29)9-10-22-23(29)12-15-30(2)24(22)13-16-31(30,3)38/h4-8,11,14,17,22-24,26-27,35,38H,9-10,12-13,15-16,18H2,1-3H3,(H,32,34)(H,36,37)/b33-21+/t22?,23?,24?,26?,27?,29InChIKey
NAXGFINKMZYUEU-KVRUDCGFSA-NSynonyms
135639594
3hydroxy2((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylpropanoicacid
3hydroxy2(2((((8R10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)3phenylpropanoicacid
betahydroxyN(((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)phenylalanine
InChI=1SC31H40N2O6c129141121(33391825(34)3226(28(36)37)27(35)197546819)1720(29)9102223(29)121530(2)24(22)131631(303)38h48111417222426273538H9101213151618H213H3(H3234)(H3637)b3321+t22?23?24?26?27?293031m0s1
O=C(NC(C(c1ccccc1)O)C(=O)O)CON=C1C=C(C@)2(C(=C1)CC(C@@H)1C2CC(C@)2(C1CC(C@)2(C)O)C)C
ZINC000008952067
ZINC000035363820
Check stock
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Check stock on Vitas-MAvailable files
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