Vitas-M small molecule compound
4-{[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}-3-phenylbutanoic acid
Catalog ID
STL526860
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCC(c3ccccc3)CC(=O)O)/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 C33H42N2O5 MW 546.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N2O5/c1-4-33(39)17-14-28-26-11-10-24-19-25(12-15-31(24,2)27(26)13-16-32(28,33)3)35-40-21-29(36)34-20-23(18-30(37)38)22-8-6-5-7-9-22/h1,5-9,19,23,26-28,39H,10-18,20-21H2,2-3H3,(H,34,36)(H,37,38)/b35-25-/t23?,26?,27?,28?,31-,32-,33+/m0/s1InChIKey
MGUKBGMXAHYHQC-VVJVARNXSA-NSynonyms
135639201
4((((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)amino)3phenylbutanoicacid
4((2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylbutanoicacid
4(2(((Z)((8R9S10R13S14S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3phenylbutanoicacid
C#C(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=NOCC(=O)NCC(c3ccccc3)CC(=O)O)CC(C@)12C
InChI=1SC33H42N2O5c1433(39)171428261110241925(121531(242)27(26)131632(2833)3)35402129(36)342023(1830(37)38)228657922h1591923262839H10182021H223H3(H3436)(H3738)b3525t23?26?27?28?313233+m0s1
MFCD03006104
ZINC001772492443
ZINC001772492446
Check stock
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