Vitas-M small molecule compound
1-[({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]proline
Catalog ID
STL533551
SMILES OC(=O)C1CCCN1C(=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 C27H40N2O5 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N2O5/c1-25-11-8-18(28-34-16-23(30)29-14-4-5-22(29)24(31)32)15-17(25)6-7-19-20(25)9-12-26(2)21(19)10-13-27(26,3)33/h15,19-22,33H,4-14,16H2,1-3H3,(H,31,32)/b28-18+/t19-,20?,21?,22?,25+,26+,27+/m1/s1InChIKey
JNVAHMSLSQXLSL-FBJUBJKWSA-NSynonyms
1(((((3E9xi14xi17beta)17hydroxy17methylandrost4en3ylidene)amino)oxy)acetyl)proline
1(2((((8R9S10R13S14S17S)17hydroxy101317trimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)pyrrolidine2carboxylicacid
1(2((~(E))((8~(R)10~(R)13~(S)17~(S))17hydroxy101317trimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)pyrrolidine2carboxylicacid
135639417
InChI=1SC27H40N2O5c12511818(28341623(30)29144522(29)24(31)32)1517(25)671920(25)91226(2)21(19)101327(263)33h15192233H41416H213H3(H3132)b2818+t1920?21?22?25+26+27+m1s1
OC(=O)C1CCCN1C(=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
ZINC001772492554
ZINC001772492557
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.