Vitas-M small molecule compound
2-({[(3Z,8xi,9xi,14xi,17alpha)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)-N-[(3R)-2-oxoazepan-3-yl]acetamide
Catalog ID
STL552689
SMILES O=C(NC1CCCCNC1=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@H]2O)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 C27H41N3O4 MW 471.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41N3O4/c1-26-12-10-18(30-34-16-24(32)29-22-5-3-4-14-28-25(22)33)15-17(26)6-7-19-20-8-9-23(31)27(20,2)13-11-21(19)26/h15,19-23,31H,3-14,16H2,1-2H3,(H,28,33)(H,29,32)/b30-18-/t19?,20?,21?,22?,23-,26+,27+/m1/s1InChIKey
CXHGWWJVUPMWKJ-VRVNJDMBSA-NSynonyms
16396621
2((((3Z8xi9xi14xi17alpha)17hydroxyandrost4en3ylidene)amino)oxy)N((3R)2oxoazepan3yl)acetamide
2(((Z)((10R13S17R)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N((R)2oxoazepan3yl)acetamide
2((~(Z))((10~(R)13~(S)17~(R))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2oxoazepan3yl)acetamide
InChI=1SC27H41N3O4c126121018(30341624(32)2922534142825(22)33)1517(26)6719208923(31)27(202)131121(19)26h15192331H31416H212H3(H2833)(H2932)b3018t19?20?21?22?2326+27+m1s1
O=C(NC1CCCCNC1=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@H)2O)C)C
ZINC000008762339
ZINC000252693365
Check stock
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