Vitas-M small molecule compound
2-({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-[2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethyl]acetamide
Catalog ID
STL526866
SMILES C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCCC3(CC(C)N(CC3C)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 C39H55N3O3 MW 613.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H55N3O3/c1-7-39(44)20-17-34-32-14-13-30-23-31(15-18-36(30,4)33(32)16-19-37(34,39)5)41-45-26-35(43)40-22-21-38(29-11-9-8-10-12-29)24-28(3)42(6)25-27(38)2/h1,8-12,23,27-28,32-34,44H,13-22,24-26H2,2-6H3,(H,40,43)/b41-31+/t27?,28?,32?,33?,34?,36-,InChIKey
ACCZPKBWXZLDOB-QKOIYAJTSA-NSynonyms
16397569
2((((10R13S17R)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(2(125trimethyl4phenylpiperidin4yl)ethyl)acetamide
2((((3E8xi9xi14xi17alpha)17hydroxypregn4en20yn3ylidene)amino)oxy)N(2(125trimethyl4phenylpiperidin4yl)ethyl)acetamide
2((~(E))((10~(R)13~(S)17~(R))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(125trimethyl4phenylpiperidin4yl)ethyl)acetamide
C#C(C@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NCCC3(CC(C)N(CC3C)C)c3ccccc3)CC(C@)12C
InChI=1SC39H55N3O3c1739(44)201734321413302331(151836(304)33(32)161937(3439)5)41452635(43)40222138(291198101229)2428(3)42(6)2527(38)2h1812232728323444H13222426H226H3(H4043)b4131+t27?28?32?33?34?363738?39m0s1
MFCD03006527
ZINC000070672255
ZINC000253504061
Check stock
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