Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]methionine
Catalog ID
STL527443
SMILES C[C@@]12CC/C(=N\OCC(=O)NC(C(=O)O)CCSC)/C=C2CCC2C1CC[C@]1(C2CC[C@]1(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 C28H40N2O5S MW 516.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N2O5S/c1-5-28(34)14-10-22-20-7-6-18-16-19(8-12-26(18,2)21(20)9-13-27(22,28)3)30-35-17-24(31)29-23(25(32)33)11-15-36-4/h1,16,20-23,34H,6-15,17H2,2-4H3,(H,29,31)(H,32,33)/b30-19+/t20?,21?,22?,23?,26-,27-,28+/m0/s1InChIKey
HLVVXQCDJZNGQM-LLEINARISA-NSynonyms
135639268
2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)4methylsulfanylbutanoicacid
2(2((((8R9S10R13S14S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)4(methylthio)butanoicacid
C(C@@)12CCC(=NOCC(=O)NC(C(=O)O)CCSC)C=C2CC(C@@H)2(C@@H)1CC(C@)1((C@H)2CC(C@)1(O)C#C)C
InChI=1SC28H40N2O5Sc1528(34)1410222076181619(81226(182)21(20)91327(2228)3)30351724(31)2923(25(32)33)1115364h116202334H61517H224H3(H2931)(H3233)b3019+t20?21?22?23?262728+m0s1
MFCD03660081
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)methionine
ZINC001772492153
ZINC001772492156
Check stock
See real-time availability and sample size for STL527443 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.