Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]isoleucine
Catalog ID
STL004672
SMILES CCC(C(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)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 C27H42N2O5 MW 474.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N2O5/c1-5-16(2)24(25(32)33)28-23(31)15-34-29-18-10-12-26(3)17(14-18)6-7-19-20-8-9-22(30)27(20,4)13-11-21(19)26/h14,16,19-22,24,30H,5-13,15H2,1-4H3,(H,28,31)(H,32,33)/b29-18+/t16?,19?,20?,21?,22?,24?,26-,27-/m0/s1InChIKey
HXJDIWPGVZIJFH-PLFUBXHKSA-NSynonyms
2((2((E)((10R13S)17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylpentanoicacid
2(2((((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylpentanoicacid
CCC(C(C(=O)O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2O)C)C)C
CCC(C)C(C(=O)O)NC(=O)CON=C1CCC2(C3CCC4(C(C3CCC2=C1)CCC4O)C)C
InChI=1SC27H42N2O5c1516(2)24(25(32)33)2823(31)15342918101226(3)17(1418)6719208922(30)27(204)131121(19)26h141619222430H51315H214H3(H2831)(H3233)b2918+t16?19?20?21?22?24?2627m0s1
MFCD04142382
N(((((3E8XI9XI14XI)17HYDROXYANDROST4EN3YLIDENE)AMINO)OXY)ACETYL)ISOLEUCINE
ZINC000257173258
ZINC000257173261
Check stock
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Check stock on Vitas-MAvailable files
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