Vitas-M small molecule compound
(3alpha,5beta,7beta,8xi)-N-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3,7-dihydroxycholan-24-amide
Catalog ID
STL536134
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]c2c([nH]1)cccc2)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 C31H45N3O3 MW 507.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45N3O3/c1-18(8-11-27(37)34-29-32-24-6-4-5-7-25(24)33-29)21-9-10-22-28-23(13-15-31(21,22)3)30(2)14-12-20(35)16-19(30)17-26(28)36/h4-7,18-23,26,28,35-36H,8-17H2,1-3H3,(H2,32,33,34,37)/t18-,19+,20-,21-,22+,23+,26+,28+,30+,31-/m1/s1InChIKey
DAHAKHKOAOERSL-WCIQSHDBSA-NSynonyms
(3alpha5beta7beta8xi)N(13dihydro2Hbenzimidazol2ylidene)37dihydroxycholan24amide
(4~(R))~(N)(1~(H)benzimidazol2yl)4((3~(R)5~(S)7~(S)8~(R)9~(S)10~(S)13~(R)14~(S)17~(R))37dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanamide
49652475
InChI=1SC31H45N3O3c118(81127(37)34293224645725(24)3329)21910222823(131531(2122)3)30(2)141220(35)1619(30)1726(28)36h47182326283536H817H213H3(H232333437)t1819+202122+23+26+28+30+31m1s1
ZINC000070712741
ZINC70712741
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