Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi,17alpha)-11,17-dihydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]alanylmethionine
Catalog ID
STL529493
SMILES CSCCC(C(=O)O)NC(=O)C(NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@@]2(O)C#C)C)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 C31H45N3O7S MW 603.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45N3O7S/c1-6-31(40)13-10-22-21-8-7-19-15-20(9-12-29(19,3)26(21)24(35)16-30(22,31)4)34-41-17-25(36)32-18(2)27(37)33-23(28(38)39)11-14-42-5/h1,15,18,21-24,26,35,40H,7-14,16-17H2,2-5H3,(H,32,36)(H,33,37)(H,38,39)/b34-20+/t18?,21?,22?,23?,24?,26?InChIKey
ROTCNZAVWSFMFU-MSMJAKSLSA-NSynonyms
2(2((2((~(E))((10~(R)13~(S)17~(R))17ethynyl1117dihydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoylamino)4methylsulfanylbutanoicacid
44661029
InChI=1SC31H45N3O7Sc1631(40)1310222187191520(91229(193)26(21)24(35)1630(2231)4)34411725(36)3218(2)27(37)3323(28(38)39)1114425h115182124263540H7141617H225H3(H3236)(H3337)(H3839)b3420+t18?21?22?23?24?26?293031m0s1
MFCD05725462
N(((((3E8xi9xi14xi17alpha)1117dihydroxypregn4en20yn3ylidene)amino)oxy)acetyl)alanylmethionine
ZINC000253522787
ZINC000253522790
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