Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylproline
Catalog ID
STL536716
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)N3CCCC3C(=O)O)C(C)C)/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 C33H47N3O6 MW 581.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H47N3O6/c1-6-33(41)16-13-25-23-10-9-21-18-22(11-14-31(21,4)24(23)12-15-32(25,33)5)35-42-19-27(37)34-28(20(2)3)29(38)36-17-7-8-26(36)30(39)40/h1,18,20,23-26,28,41H,7-17,19H2,2-5H3,(H,34,37)(H,39,40)/b35-22+/t23?,24?,25?,26?,28?,31-,32-,33+/m0/sInChIKey
ZRFNLVFXMGHTOG-QMUIMTKISA-NSynonyms
1(2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoyl)pyrrolidine2carboxylicacid
1(2(2(((E)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanoyl)pyrrolidine2carboxylicacid
16403740
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NC(C(=O)N3CCCC3C(=O)O)C(C)C)CC(C@)12C
InChI=1SC33H47N3O6c1633(41)16132523109211822(111431(214)24(23)121532(2533)5)35421927(37)3428(20(2)3)29(38)36177826(36)30(39)40h1182023262841H71719H225H3(H3437)(H3940)b3522+t23?24?25?26?28?313233+m0s1
MFCD06765131
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valylproline
ZINC000070699278
ZINC000253502068
Check stock
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Check stock on Vitas-MAvailable files
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