Vitas-M small molecule compound
(3alpha,5beta,7beta,8xi)-3,7-dihydroxy-N-[(2Z)-1,3,4-thiadiazol-2(3H)-ylidene]cholan-24-amide
Catalog ID
STL536529
SMILES O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)/N=c/1\scn[nH]1)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 C26H41N3O3S MW 475.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H41N3O3S/c1-15(4-7-22(32)28-24-29-27-14-33-24)18-5-6-19-23-20(9-11-26(18,19)3)25(2)10-8-17(30)12-16(25)13-21(23)31/h14-21,23,30-31H,4-13H2,1-3H3,(H,28,29,32)/t15-,16+,17-,18-,19+,20+,21+,23+,25+,26-/m1/s1InChIKey
TUCRYXJEQMUOAT-JWZKXLIESA-NSynonyms
(3alpha5beta7beta8xi)37dihydroxyN((2Z)134thiadiazol2(3H)ylidene)cholan24amide
(4~(R))4((3~(R)5~(S)7~(S)8~(R)9~(S)10~(S)13~(R)14~(S)17~(R))37dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)~(N)(134thiadiazol2yl)pentanamide
52994397
InChI=1SC26H41N3O3Sc115(4722(32)28242927143324)1856192320(91126(1819)3)25(2)10817(30)1216(25)1321(23)31h1421233031H413H213H3(H282932)t1516+171819+20+21+23+25+26m1s1
ZINC000070666155
ZINC70666155
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