Vitas-M small molecule compound
(3alpha,5beta,12alpha)-3,12-dihydroxy-N-[3-(methylsulfanyl)phenyl]cholan-24-amide
Catalog ID
STL538224
SMILES CSc1cccc(c1)NC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)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 C31H47NO3S MW 513.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H47NO3S/c1-19(8-13-29(35)32-21-6-5-7-23(17-21)36-4)25-11-12-26-24-10-9-20-16-22(33)14-15-30(20,2)27(24)18-28(34)31(25,26)3/h5-7,17,19-20,22,24-28,33-34H,8-16,18H2,1-4H3,(H,32,35)/t19-,20-,22-,24+,25-,26+,27+,28+,30+,31-/m1/s1InChIKey
LPWUBTDCIDCHKK-JCCJDQBASA-NSynonyms
(3alpha5beta12alpha)312dihydroxyN(3(methylsulfanyl)phenyl)cholan24amide
(4~(R))4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)~(N)(3methylsulfanylphenyl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(3(methylthio)phenyl)pentanamide
71692256
CSc1cccc(c1)NC(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)(C@@H)(O)C(C@H)1(C@H)2CC(C@H)2(C@)1(C)CC(C@H)(C2)O)C
InChI=1SC31H47NO3Sc119(81329(35)322165723(1721)364)2511122624109201622(33)141530(202)27(24)1828(34)31(2526)3h571719202224283334H81618H214H3(H3235)t19202224+2526+27+28+30+31m1s1
ZINC000072326024
ZINC72326024
Check stock
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Check stock on Vitas-MAvailable files
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