Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-{[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]amino}propanoic acid
Catalog ID
STL527374
SMILES O=C(NC(C1CCOC(C1)(C)C)CC(=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 C31H48N2O6 MW 544.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H48N2O6/c1-29(2)17-19(11-14-38-29)25(16-28(36)37)32-27(35)18-39-33-21-9-12-30(3)20(15-21)5-6-22-23-7-8-26(34)31(23,4)13-10-24(22)30/h15,19,22-26,34H,5-14,16-18H2,1-4H3,(H,32,35)(H,36,37)/b33-21+/t19?,22?,23?,24?,25?,26?,30-,31-/m0/s1InChIKey
NPOPXVKWJITPDM-YJRYZLFHSA-NSynonyms
16397674
3(22dimethyloxan4yl)3((2((~(E))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3((((((3E8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3(2((((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)propanoicacid
InChI=1SC31H48N2O6c129(2)1719(11143829)25(1628(36)37)3227(35)1839332191230(3)20(1521)5622237826(34)31(234)131024(22)30h1519222634H5141618H214H3(H3235)(H3637)b3321+t19?22?23?24?25?26?3031m0s1
MFCD03266695
O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2O)C)C
ZINC000038555467
ZINC000257372845
Check stock
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Check stock on Vitas-MAvailable files
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