Vitas-M small molecule compound
N-(4-oxo-4-{[(5alpha,8xi,9xi,14xi)-3-oxoandrostan-17-yl]oxy}butanoyl)cysteine
Catalog ID
STL540796
SMILES SCC(C(=O)O)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(=O)C2
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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 C26H39NO6S MW 493.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39NO6S/c1-25-11-9-16(28)13-15(25)3-4-17-18-5-6-21(26(18,2)12-10-19(17)25)33-23(30)8-7-22(29)27-20(14-34)24(31)32/h15,17-21,34H,3-14H2,1-2H3,(H,27,29)(H,31,32)/t15-,17?,18?,19?,20?,21?,25-,26-/m0/s1InChIKey
HZWGULSLCDETLM-QJXALXSWSA-NSynonyms
135639561
2((4(((5~(S)10~(S)13~(S))1013dimethyl3oxo12456789111214151617tetradecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)3sulfanylpropanoicacid
2(4(((10S13S)1013dimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)3mercaptopropanoicacid
InChI=1SC26H39NO6Sc12511916(28)1315(25)3417185621(26(182)121019(17)25)3323(30)8722(29)2720(1434)24(31)32h15172134H314H212H3(H2729)(H3132)t1517?18?19?20?21?2526m0s1
N(4oxo4(((5alpha8xi9xi14xi)3oxoandrostan17yl)oxy)butanoyl)cysteine
SCC(C(=O)O)NC(=O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2(C@)1(C)CCC(=O)C2
ZINC001772492622
ZINC001772492625
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.