Vitas-M small molecule compound
2-({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)-N-{2-[4-phenyl-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethyl}acetamide
Catalog ID
STL527634
SMILES O=C(CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C)NCCC1(CCOC(C1)C(C)C)c1ccccc1
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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 C37H54N2O4 MW 590.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H54N2O4/c1-25(2)32-23-37(19-21-42-32,26-8-6-5-7-9-26)18-20-38-34(41)24-43-39-28-14-16-35(3)27(22-28)10-11-29-30-12-13-33(40)36(30,4)17-15-31(29)35/h5-9,22,25,29-33,40H,10-21,23-24H2,1-4H3,(H,38,41)/b39-28+/t29?,30?,31?,32?,33?,35-,36-,37?/m0/sInChIKey
LXJJPMRXQSENFL-JMUVJDSGSA-NSynonyms
16397992
2((((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(2(2isopropyl4phenyltetrahydro2Hpyran4yl)ethyl)acetamide
2((((3E8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)N(2(4phenyl2(propan2yl)tetrahydro2Hpyran4yl)ethyl)acetamide
2((~(E))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(4phenyl2propan2yloxan4yl)ethyl)acetamide
InChI=1SC37H54N2O4c125(2)322337(19214232268657926)18203834(41)24433928141635(3)27(2228)10112930121333(40)36(304)171531(29)35h592225293340H10212324H214H3(H3841)b3928+t29?30?31?32?33?353637?m0s1
MFCD03660060
O=C(CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2O)C)C)NCCC1(CCOC(C1)C(C)C)c1ccccc1
ZINC000253505792
ZINC000253505798
Check stock
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Check stock on Vitas-MAvailable files
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