Vitas-M small molecule compound
4-hydroxy-1-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]proline
Catalog ID
STL566068
SMILES OC1CC(N(C1)C(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)C(=O)O
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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 C28H40N2O7 MW 516.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N2O7/c1-16(31)28(36)11-8-22-20-5-4-17-12-18(6-9-26(17,2)21(20)7-10-27(22,28)3)29-37-15-24(33)30-14-19(32)13-23(30)25(34)35/h12,19-23,32,36H,4-11,13-15H2,1-3H3,(H,34,35)/b29-18+/t19?,20?,21?,22?,23?,26-,27-,28-/m0/s1InChIKey
XQSIZZYMZMLQIG-JOPHBVSSSA-NSynonyms
1(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)4hydroxypyrrolidine2carboxylicacid
1(2((E)((10R13S17R)17acetyl17hydroxy1013dimethyl267891112141516decahydro1Hcyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)4hydroxypyrrolidine2carboxylicacid
145705583
4hydroxy1(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)proline
InChI=1SC28H40N2O7c116(31)28(36)118222054171218(6926(172)21(20)71027(2228)3)29371524(33)301419(32)1323(30)25(34)35h1219233236H4111315H213H3(H3435)b2918+t19?20?21?22?23?262728m0s1
OC1CC(N(C1)C(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C)C(=O)O
ZINC001848443871
ZINC001848443874
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.