Vitas-M small molecule compound
2-hydroxy-3,3-dimethyl-4-{[({[(3Z)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}butanoic acid
Catalog ID
STL537064
SMILES O=C(NCC(C(C(=O)O)O)(C)C)CO/N=C\1/CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(=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 C29H44N2O6 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N2O6/c1-17(32)21-8-9-22-20-7-6-18-14-19(10-12-28(18,4)23(20)11-13-29(21,22)5)31-37-15-24(33)30-16-27(2,3)25(34)26(35)36/h14,20-23,25,34H,6-13,15-16H2,1-5H3,(H,30,33)(H,35,36)/b31-19-InChIKey
KYQOCZOBSFPCRB-DXJNIWACSA-NSynonyms
(Z)4(2(((17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)2hydroxy33dimethylbutanoicacid
2hydroxy33dimethyl4((((((3Z)20oxopregn4en3ylidene)amino)oxy)acetyl)amino)butanoicacid
4((2((~(Z))(17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)2hydroxy33dimethylbutanoicacid
42648685
InChI=1SC29H44N2O6c117(32)2189222076181419(101228(184)23(20)111329(2122)5)31371524(33)301627(23)25(34)26(35)36h1420232534H6131516H215H3(H3033)(H3536)b3119
MFCD31754491
O=C(NCC(C(C(=O)O)O)(C)C)CON=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(=O)C)C)C
ZINC000257198890
ZINC000257198893
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