Vitas-M small molecule compound
methyl N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophanate
Catalog ID
STL525836
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)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 C35H45N3O6 MW 603.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H45N3O6/c1-21(39)35(42)16-13-28-26-10-9-23-18-24(11-14-33(23,2)27(26)12-15-34(28,35)3)38-44-20-31(40)37-30(32(41)43-4)17-22-19-36-29-8-6-5-7-25(22)29/h5-8,18-19,26-28,30,36,42H,9-17,20H2,1-4H3,(H,37,40)/b38-24+/t26?,27?,28?,30?,33-,34-,35-/m0/InChIKey
OMHBBCVPUBKOQK-MNZHRJCXSA-NSynonyms
16396916
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C(=O)C)C)C
InChI=1SC35H45N3O6c121(39)35(42)16132826109231824(111433(232)27(26)121534(2835)3)38442031(40)3730(32(41)434)1722193629865725(22)29h5818192628303642H91720H214H3(H3740)b3824+t26?27?28?30?333435m0s1
methyl2((2((~(E))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)indol3yl)propanoate
methyl2(2((((10R13S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(1Hindol3yl)propanoate
methylN(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)tryptophanate
MFCD02115734
ZINC000070670081
ZINC000070670084
Check stock
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