Vitas-M small molecule compound

N-[2-(3,4-dihydroxyphenyl)ethyl]-2-({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide

Catalog ID
STL526671
SMILES O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)NCCc1ccc(c(c1)O)O

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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 C31H42N2O6 MW 538.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O6/c1-19(34)31(38)14-10-25-23-6-5-21-17-22(8-12-29(21,2)24(23)9-13-30(25,31)3)33-39-18-28(37)32-15-11-20-4-7-26(35)27(36)16-20/h4,7,16-17,23-25,35-36,38H,5-6,8-15,18H2,1-3H3,(H,32,37)/b33-22-/t23?,24?,25?,29-,30-,31-/m0/s1
InChIKey
PLAYWPPJWAWICU-FZMJSJIRSA-N
Synonyms

135639186
2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(34dihydroxyphenethyl)acetamide
2((~(Z))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(34dihydroxyphenyl)ethyl)acetamide
InChI=1SC31H42N2O6c119(34)31(38)1410252365211722(81229(212)24(23)91330(2531)3)33391828(37)321511204726(35)27(36)1620h4716172325353638H5681518H213H3(H3237)b3322t23?24?25?293031m0s1
MFCD03006004
N(2(34dihydroxyphenyl)ethyl)2((((3Z8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetamide
O=C(CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C)NCCc1ccc(c(c1)O)O
ZINC001772492458
ZINC001772492461

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Available files

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