Vitas-M small molecule compound
2-({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-{2-[4-phenyl-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethyl}acetamide
Catalog ID
STL526688
SMILES C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCCC3(CCOC(C3)C(C)C)c3ccccc3)/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 C39H54N2O4 MW 614.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H54N2O4/c1-6-39(43)19-16-33-31-13-12-29-24-30(14-17-36(29,4)32(31)15-18-37(33,39)5)41-45-26-35(42)40-22-20-38(28-10-8-7-9-11-28)21-23-44-34(25-38)27(2)3/h1,7-11,24,27,31-34,43H,12-23,25-26H2,2-5H3,(H,40,42)/b41-30+/t31?,32?,33?,34?,36-,37-,38?InChIKey
JISYTCWHNSEYLK-SVXIFTGKSA-NSynonyms
16397477
2((((10R13S17R)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(2(2isopropyl4phenyltetrahydro2Hpyran4yl)ethyl)acetamide
2((((3E8xi9xi14xi17alpha)17hydroxypregn4en20yn3ylidene)amino)oxy)N(2(4phenyl2(propan2yl)tetrahydro2Hpyran4yl)ethyl)acetamide
2((~(E))((10~(R)13~(S)17~(R))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(4phenyl2propan2yloxan4yl)ethyl)acetamide
C#C(C@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NCCC3(CCOC(C3)C(C)C)c3ccccc3)CC(C@)12C
InChI=1SC39H54N2O4c1639(43)191633311312292430(141736(294)32(31)151837(3339)5)41452635(42)40222038(28108791128)21234434(2538)27(2)3h17112427313443H12232526H225H3(H4042)b4130+t31?32?33?34?363738?39m0s1
MFCD03006123
ZINC000070672007
ZINC000257360817
Check stock
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