Vitas-M small molecule compound

(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-[(2Z)-1,3,4-thiadiazol-2(3H)-ylidene]cholan-24-amide

Catalog ID
STL538328
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\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 C26H41N3O4S MW 491.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H41N3O4S/c1-14(4-7-22(33)28-24-29-27-13-34-24)17-5-6-18-23-19(12-21(32)26(17,18)3)25(2)9-8-16(30)10-15(25)11-20(23)31/h13-21,23,30-32H,4-12H2,1-3H3,(H,28,29,33)/t14-,15+,16-,17-,18+,19+,20-,21+,23+,25+,26-/m1/s1
InChIKey
BJZJKTUVXARCTE-QVRCBYAKSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxyN((2Z)134thiadiazol2(3H)ylidene)cholan24amide
(4~(R))~(N)(134thiadiazol2yl)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
71692081
InChI=1SC26H41N3O4Sc114(4722(33)28242927133424)1756182319(1221(32)26(1718)3)25(2)9816(30)1015(25)1120(23)31h1321233032H412H213H3(H282933)t1415+161718+19+2021+23+25+26m1s1
ZINC000072325593
ZINC72325593

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Available files

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