Vitas-M small molecule compound
(1S,5aS,13aS,15aS)-1,11-dihydroxy-8-(2-methoxyethyl)-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
STL552528
SMILES COCCn1c(=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 C28H39N3O4 MW 481.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39N3O4/c1-26-15-16-13-19-23(31(11-12-35-4)25(33)30-24(19)32)29-22(16)14-17(26)5-6-18-20(26)7-9-27(2)21(18)8-10-28(27,3)34/h13,17-18,20-21,34H,5-12,14-15H2,1-4H3,(H,30,32,33)/t17-,18?,20?,21?,26-,27-,28-/m0/s1InChIKey
QCUIPOHXOZRJKP-CJYFBBKGSA-NSynonyms
(1~(S)14~(S)18~(S)19~(S))19hydroxy6(2methoxyethyl)141819trimethyl468triazahexacyclo(121100^(312)0^(510)0^(1523)0^(1822))pentacosa35(10)11triene79dione
(1S5aS13aS15aS)111dihydroxy8(2methoxyethyl)113a15atrimethyl1233a3b455a681313a13b141515ahexadecahydro9Hcyclopenta(56)naphtho(12g)pyrimido(45b)quinolin9one
135640748
InChI=1SC28H39N3O4c1261516131923(31(1112354)25(33)3024(19)32)2922(16)1417(26)561820(26)7927(2)21(18)81028(273)34h131718202134H5121415H214H3(H303233)t1718?20?21?262728m0s1
ZINC001547206048
ZINC001547206051
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