Vitas-M small molecule compound
2-({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
Catalog ID
STL526912
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCCc3c[nH]c4c3cccc4)/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 C33H41N3O3 MW 527.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N3O3/c1-4-33(38)17-13-28-26-10-9-23-19-24(11-15-31(23,2)27(26)12-16-32(28,33)3)36-39-21-30(37)34-18-14-22-20-35-29-8-6-5-7-25(22)29/h1,5-8,19-20,26-28,35,38H,9-18,21H2,2-3H3,(H,34,37)/b36-24-/t26?,27?,28?,31-,32-,33+/m0/s1InChIKey
VPZQQMZIGOADDZ-OBCVBCGFSA-NSynonyms
135639207
2((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)N(2(1Hindol3yl)ethyl)acetamide
2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(1~(H)indol3yl)ethyl)acetamide
C#C(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=NOCC(=O)NCCc3c(nH)c4c3cccc4)CC(C@)12C
InChI=1SC33H41N3O3c1433(38)17132826109231924(111531(232)27(26)121632(2833)3)36392130(37)34181422203529865725(22)29h158192026283538H91821H223H3(H3437)b3624t26?27?28?313233+m0s1
MFCD03005674
N(2(1Hindol3yl)ethyl)2(((Z)((8R9S10R13S14S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamide
ZINC000252347101
ZINC001772492311
Check stock
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