Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-{[({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}propanoic acid
Catalog ID
STL527009
SMILES C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C3CCOC(C3)(C)C)CC(=O)O)/CC[C@]12C
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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 C33H48N2O6 MW 568.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H48N2O6/c1-6-33(39)15-11-26-24-8-7-22-17-23(9-13-31(22,4)25(24)10-14-32(26,33)5)35-41-20-28(36)34-27(18-29(37)38)21-12-16-40-30(2,3)19-21/h1,17,21,24-27,39H,7-16,18-20H2,2-5H3,(H,34,36)(H,37,38)/b35-23+/t21?,24?,25?,26?,27?,31-,32-,33-/m0/s1InChIKey
QDZHOVYHXGERTQ-QUCHPLOPSA-NSynonyms
16397529
3(22dimethyloxan4yl)3((2((~(E))((10~(R)13~(S)17~(R))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3((((((3E8xi9xi14xi17alpha)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3(2((((10R13S17R)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)propanoicacid
C#C(C@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NC(C3CCOC(C3)(C)C)CC(=O)O)CC(C@)12C
InChI=1SC33H48N2O6c1633(39)1511262487221723(91331(224)25(24)101432(2633)5)35412028(36)3427(1829(37)38)2112164030(23)1921h11721242739H7161820H225H3(H3436)(H3738)b3523+t21?24?25?26?27?313233m0s1
MFCD03006349
ZINC000070672153
ZINC000257372867
Check stock
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