Vitas-M small molecule compound
(1S,5aS,13aS,15aS)-1,11-dihydroxy-8-(4-methoxyphenyl)-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]quinolin-9-one
Catalog ID
STL552471
SMILES COc1ccc(cc1)n1c(=O)nc(c2c1nc1C[C@@H]3CCC4C([C@]3(Cc1c2)C)CC[C@]1(C4CC[C@]1(C)O)C)O
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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 C32H39N3O4 MW 529.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39N3O4/c1-30-17-18-15-23-27(35(29(37)34-28(23)36)20-6-8-21(39-4)9-7-20)33-26(18)16-19(30)5-10-22-24(30)11-13-31(2)25(22)12-14-32(31,3)38/h6-9,15,19,22,24-25,38H,5,10-14,16-17H2,1-4H3,(H,34,36,37)/t19-,22?,24?,25?,30-,31-,32-/m0/s1InChIKey
ANGHLBQXJKUEFD-NXCHCGIUSA-NSynonyms
(1~(S)14~(S)18~(S)19~(S))19hydroxy6(4methoxyphenyl)141819trimethyl468triazahexacyclo(121100^(312)0^(510)0^(1523)0^(1822))pentacosa35(10)11triene79dione
(1S5aS13aS15aS)111dihydroxy8(4methoxyphenyl)113a15atrimethyl1233a3b455a681313a13b141515ahexadecahydro9Hcyclopenta(56)naphtho(12g)pyrimido(45b)quinolin9one
135640703
InChI=1SC32H39N3O4c1301718152327(35(29(37)3428(23)36)206821(394)9720)3326(18)1619(30)5102224(30)111331(2)25(22)121432(313)38h69151922242538H510141617H214H3(H343637)t1922?24?25?303132m0s1
ZINC001772493081
ZINC001772493084
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