Vitas-M small molecule compound
methyl 4-hydroxy-1-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]prolinate
Catalog ID
STL540059
SMILES COC(=O)C1CC(CN1C(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)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 C29H42N2O7 MW 530.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H42N2O7/c1-17(32)29(36)12-9-23-21-6-5-18-13-19(7-10-27(18,2)22(21)8-11-28(23,29)3)30-38-16-25(34)31-15-20(33)14-24(31)26(35)37-4/h13,20-24,33,36H,5-12,14-16H2,1-4H3/b30-19+/t20?,21?,22?,23?,24?,27-,28-,29-/m0/s1InChIKey
CJKRIXOGACCXAJ-ZTBMLINRSA-NSynonyms
42648538
COC(=O)C1CC(CN1C(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C(=O)C)C)C)O
InChI=1SC29H42N2O7c117(32)29(36)129232165181319(71027(182)22(21)81128(2329)3)30381625(34)311520(33)1424(31)26(35)374h1320243336H5121416H214H3b3019+t20?21?22?23?24?272829m0s1
methyl1(2(((E)((10R13S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)4hydroxypyrrolidine2carboxylate
methyl1(2((~(E))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)4hydroxypyrrolidine2carboxylate
methyl4hydroxy1(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)prolinate
MFCD01548337
ZINC000257198561
ZINC000257198564
Check stock
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