Vitas-M small molecule compound
(1S,5aS,13aS,15aS)-1,11-dihydroxy-1,13a,15a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,13,13a,13b,14,15,15a-hexadecahydro-9H-cyclopenta[5,6]naphtho[1,2-g]pyrimido[4,5-b]quinoline-9-thione
Catalog ID
STL551803
SMILES S=c1nc(O)c2c([nH]1)nc1c(c2)C[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)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 C25H33N3O2S MW 439.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N3O2S/c1-23-12-13-10-16-20(27-22(31)28-21(16)29)26-19(13)11-14(23)4-5-15-17(23)6-8-24(2)18(15)7-9-25(24,3)30/h10,14-15,17-18,30H,4-9,11-12H2,1-3H3,(H2,26,27,28,29,31)/t14-,15?,17?,18?,23-,24-,25-/m0/s1InChIKey
NPVNXBYSVOVVTE-AOLXCTABSA-NSynonyms
(1~(S)14~(S)18~(S)19~(S))19hydroxy141819trimethyl7sulfanylidene468triazahexacyclo(121100^(312)0^(510)0^(1523)0^(1822))pentacosa35(10)11trien9one
(1S5aS13aS15aS)111dihydroxy113a15atrimethyl1233a3b455a681313a13b141515ahexadecahydro9Hcyclopenta(56)naphtho(12g)pyrimido(45b)quinoline9thione
135640145
InChI=1SC25H33N3O2Sc1231213101620(2722(31)2821(16)29)2619(13)1114(23)451517(23)6824(2)18(15)7925(243)30h101415171830H491112H213H3(H22627282931)t1415?17?18?232425m0s1
ZINC001547206363
ZINC001547206367
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