Vitas-M small molecule compound
methyl 1-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]prolinate
Catalog ID
STL524582
SMILES COC(=O)C1CCCN1C(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)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 C29H40N2O5 MW 496.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N2O5/c1-5-29(34)15-12-23-21-9-8-19-17-20(10-13-27(19,2)22(21)11-14-28(23,29)3)30-36-18-25(32)31-16-6-7-24(31)26(33)35-4/h1,17,21-24,34H,6-16,18H2,2-4H3/b30-20-/t21?,22?,23?,24?,27-,28-,29+/m0/s1InChIKey
LVZNVGXDIBZHPV-FTMGZNTLSA-NSynonyms
16396547
COC(=O)C1CCCN1C(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C
InChI=1SC29H40N2O5c1529(34)1512232198191720(101327(192)22(21)111428(2329)3)30361825(32)31166724(31)26(33)354h117212434H61618H224H3b3020t21?22?23?24?272829+m0s1
methyl1(((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)prolinate
methyl1(2(((Z)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)pyrrolidine2carboxylate
methyl1(2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)pyrrolidine2carboxylate
MFCD01881602
ZINC000035361317
ZINC000253499656
Check stock
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