Vitas-M small molecule compound
2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate
Catalog ID
STL552730
SMILES O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)[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 C26H44NO6S MW 498.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1InChIKey
AWDRATDZQPNJFN-VAYUFCLWSA-MSynonyms
2(((3alpha5beta12alpha)312dihydroxy24oxocholan24yl)amino)ethanesulfonate
2(((4~(R))4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanoyl)amino)ethanesulfonate
2((3ALPHA12ALPHADIHYDROXY24OXO5BETACHOLAN24YL)AMINO)ETHANESULFONATE
9548793
InChI=1SC26H45NO6Sc116(4924(30)27121334(3132)33)2078211965171418(28)101125(172)22(19)1523(29)26(2021)3h16232829H415H213H3(H2730)(H313233)p1t16171819+2021+22+23+25+26m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)NCCS(=O)(=O)(O))C)C)CO(Na+)
sodium2((R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamido)ethanesulfonatehydrate
TAURODEOXYCHOLATE
ZINC000004282168
Check stock
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Check stock on Vitas-MAvailable files
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