Vitas-M small molecule compound
(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]cholan-24-amide
Catalog ID
STL538721
SMILES O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)/N=c\1/scc([nH]1)C)C)C)O)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 C28H44N2O4S MW 504.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44N2O4S/c1-15(5-8-24(34)30-26-29-16(2)14-35-26)19-6-7-20-25-21(13-23(33)28(19,20)4)27(3)10-9-18(31)11-17(27)12-22(25)32/h14-15,17-23,25,31-33H,5-13H2,1-4H3,(H,29,30,34)/t15-,17+,18-,19-,20+,21+,22-,23+,25+,27+,28-/m1/s1InChIKey
XSZZSRBCBYIENW-KWQPEXISSA-NSynonyms
(3alpha5beta7alpha8xi12alpha)3712trihydroxyN((2E)4methyl13thiazol2(3H)ylidene)cholan24amide
(4~(R))~(N)(4methyl13thiazol2yl)4((3~(R)5~(S)7~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))3712trihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanamide
71692246
InChI=1SC28H44N2O4Sc115(5824(34)30262916(2)143526)1967202521(1323(33)28(1920)4)27(3)10918(31)1117(27)1222(25)32h14151723253133H513H214H3(H293034)t1517+181920+21+2223+25+27+28m1s1
ZINC000072326001
ZINC72326001
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