Vitas-M small molecule compound
N-[({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]methionine
Catalog ID
STL003720
SMILES CSCCC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[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 C27H42N2O5S MW 506.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N2O5S/c1-25-11-7-18(29-34-16-23(30)28-22(24(31)32)10-14-35-4)15-17(25)5-6-19-20(25)8-12-26(2)21(19)9-13-27(26,3)33/h15,19-22,33H,5-14,16H2,1-4H3,(H,28,30)(H,31,32)/b29-18+/t19-,20?,21?,22?,25+,26+,27+/m1/s1InChIKey
VFSWERFCRWAENE-UDSWQIFQSA-NSynonyms
2((2((E)((8R10R13S17S)17hydroxy101317trimethyl267891112141516decahydro1Hcyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)4methylsulfanylbutanoicacid
2(2((((8R9S10R13S14S17S)17hydroxy101317trimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)4(methylthio)butanoicacid
CC12CCC(=NOCC(=O)NC(CCSC)C(=O)O)C=C1CCC3C2CCC4(C3CCC4(C)O)C
CSCCC(C(=O)O)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(C)O)C)C
CSCCC(C(=O)O)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1C2CC(C@)2(C1CC(C@)2(C)O)C)C
InChI=1SC27H42N2O5Sc12511718(29341623(30)2822(24(31)32)1014354)1517(25)561920(25)81226(2)21(19)91327(263)33h15192233H51416H214H3(H2830)(H3132)b2918+t1920?21?22?25+26+27+m1s1
N(((((3E9XI14XI17BETA)17HYDROXY17METHYLANDROST4EN3YLIDENE)AMINO)OXY)ACETYL)METHIONINE
ZINC000012875790
ZINC000257173693
Check stock
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