Vitas-M small molecule compound

(3alpha,5beta,7beta,8xi)-N-[(2E)-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-3,7-dihydroxycholan-24-amide

Catalog ID
STL536616
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\[nH]c(c(s1)C)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 C29H46N2O3S MW 502.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H46N2O3S/c1-16(6-9-25(34)31-27-30-17(2)18(3)35-27)21-7-8-22-26-23(11-13-29(21,22)5)28(4)12-10-20(32)14-19(28)15-24(26)33/h16,19-24,26,32-33H,6-15H2,1-5H3,(H,30,31,34)/t16-,19+,20-,21-,22+,23+,24+,26+,28+,29-/m1/s1
InChIKey
KHIPFAUEFHSFAI-FSXOJXJGSA-N
Synonyms

(3alpha5beta7beta8xi)N((2E)45dimethyl13thiazol2(3H)ylidene)37dihydroxycholan24amide
(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)(45dimethyl13thiazol2yl)pentanamide
52994341
InChI=1SC29H46N2O3Sc116(6925(34)31273017(2)18(3)3527)2178222623(111329(2122)5)28(4)121020(32)1419(28)1524(26)33h161924263233H615H215H3(H303134)t1619+202122+23+24+26+28+29m1s1
ZINC000070666130
ZINC70666130

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Available files

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