Vitas-M small molecule compound

N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]cysteine

Catalog ID
STL527632
SMILES SCC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#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 C26H36N2O5S MW 488.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O5S/c1-4-26(32)12-9-20-18-6-5-16-13-17(28-33-14-22(29)27-21(15-34)23(30)31)7-10-24(16,2)19(18)8-11-25(20,26)3/h1,13,18-21,32,34H,5-12,14-15H2,2-3H3,(H,27,29)(H,30,31)/b28-17+/t18?,19?,20?,21?,24-,25-,26+/m0/s1
InChIKey
VCFBNEFNDQSRKH-FAGUCAFVSA-N
Synonyms

16397930
2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3sulfanylpropanoicacid
2(2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3mercaptopropanoicacid
InChI=1SC26H36N2O5Sc1426(32)129201865161317(28331422(29)2721(1534)23(30)31)71024(162)19(18)81125(2026)3h11318213234H5121415H223H3(H2729)(H3031)b2817+t18?19?20?21?242526+m0s1
MFCD03659849
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)cysteine
SCC(C(=O)O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C
ZINC000008964716
ZINC000257372895

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.