Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-{[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}propanoic acid
Catalog ID
STL542657
SMILES O=C(NC(C1CCOC(C1)(C)C)CC(=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 C32H48N2O6 MW 556.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H48N2O6/c1-29(2)18-20(11-15-39-29)26(17-28(36)37)33-27(35)19-40-34-22-8-12-30(3)21(16-22)6-7-23-24(30)9-13-31(4)25(23)10-14-32(31,5)38/h8,12,16,20,23-26,38H,6-7,9-11,13-15,17-19H2,1-5H3,(H,33,35)(H,36,37)/b34-22+/t20?,23?,24?,25?,26?,30-,31-,3InChIKey
ZKLSMMQOZBNCNB-AWQLNTPESA-NSynonyms
16399229
3(22dimethyloxan4yl)3((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3((((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3(2((((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)propanoicacid
InChI=1SC32H48N2O6c129(2)1820(11153929)26(1728(36)37)3327(35)1940342281230(3)21(1622)672324(30)91331(4)25(23)101432(315)38h8121620232638H6791113151719H215H3(H3335)(H3637)b3422+t20?23?24?25?26?303132m0s1
MFCD04142445
O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CON=C1C=C(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C
ZINC000070680932
ZINC000253502065
Check stock
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Check stock on Vitas-MAvailable files
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