Vitas-M small molecule compound
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[(5R,10S,13S,17S)-2',2',10,13-tetramethylhexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,5'-[1,3]oxazolidin]-3'-yl]ethanone
Catalog ID
STK765131
SMILES O=C(N1C[C@]2(OC1(C)C)CCC1[C@]2(C)CCC2C1CC[C@@H]1[C@]2(C)CCCC1)CSC1=NCCN1
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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 C28H45N3O2S MW 487.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H45N3O2S/c1-25(2)31(23(32)17-34-24-29-15-16-30-24)18-28(33-25)14-11-22-20-9-8-19-7-5-6-12-26(19,3)21(20)10-13-27(22,28)4/h19-22H,5-18H2,1-4H3,(H,29,30)/t19-,20?,21?,22?,26+,27+,28-/m1/s1InChIKey
FJIROWAKFHDSJC-XBVWDWAZSA-NSynonyms
2(45dihydro1Himidazol2ylsulfanyl)1((5R10S13S17S)221013tetramethylhexadecahydro3Hspiro(cyclopenta(a)phenanthrene175(13)oxazolidin)3yl)ethanone
2(45dihydro1Himidazol2ylsulfanyl)1((5R10S13S17S)221013tetramethylspiro(1234567891112141516tetradecahydrocyclopenta(a)phenanthrene17513oxazolidine)3yl)ethanone
CC1(N(CC2(O1)CCC3C2(CCC4C3CCC5C4(CCCC5)C)C)C(=O)CSC6=NCCN6)C
InChI=1SC28H45N3O2Sc125(2)31(23(32)1734242915163024)1828(3325)1411222098197561226(193)21(20)101327(2228)4h1922H518H214H3(H2930)t1920?21?22?26+27+28m1s1
O=C(N1C(C@)2(OC1(C)C)CCC1(C@)2(C)CCC2C1CC(C@@H)1(C@)2(C)CCCC1)CSC1=NCCN1
ZINC000008856745
ZINC000039210334
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