Vitas-M small molecule compound
(3alpha,5beta,7beta,8xi)-3,7-dihydroxy-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]cholan-24-amide
Catalog ID
STL536574
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]nc(s1)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 C27H43N3O3S MW 489.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H43N3O3S/c1-15(5-8-23(33)28-25-30-29-16(2)34-25)19-6-7-20-24-21(10-12-27(19,20)4)26(3)11-9-18(31)13-17(26)14-22(24)32/h15,17-22,24,31-32H,5-14H2,1-4H3,(H,28,30,33)/t15-,17+,18-,19-,20+,21+,22+,24+,26+,27-/m1/s1InChIKey
ADGQIWGQPJYIJI-JIANXNGTSA-NSynonyms
(3alpha5beta7beta8xi)37dihydroxyN((2Z)5methyl134thiadiazol2(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)(5methyl134thiadiazol2yl)pentanamide
52994319
InChI=1SC27H43N3O3Sc115(5823(33)2825302916(2)3425)1967202421(101227(1920)4)26(3)11918(31)1317(26)1422(24)32h151722243132H514H214H3(H283033)t1517+181920+21+22+24+26+27m1s1
ZINC000070666120
ZINC70666120
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