Vitas-M small molecule compound
11-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-12c-methyl-5,6,6a,6b,7,11,12c,13,14,14a-decahydro-12H-naphtho[2'',1'':4',5']indeno[1',2':4,5]thieno[2,3-d]pyrimidin-12-one
Catalog ID
STL539018
SMILES COc1ccc2c(c1)CCC1C2CCC2(C1Cc1c2c2c(s1)ncn(c2=O)Cc1ccc2c(c1)OCO2)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 C31H30N2O4S MW 526.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O4S/c1-31-10-9-21-20-7-5-19(35-2)12-18(20)4-6-22(21)23(31)13-26-28(31)27-29(38-26)32-15-33(30(27)34)14-17-3-8-24-25(11-17)37-16-36-24/h3,5,7-8,11-12,15,21-23H,4,6,9-10,13-14,16H2,1-2H3InChIKey
KAOIBWQCFGNZBY-UHFFFAOYSA-NSynonyms
1574320-31-210(benzo(d)(13)dioxol5ylmethyl)4methoxy8amethyl6b788a101414a14boctahydro1Hnaphtho(2145)indeno(1245)thieno(23d)pyrimidin9(2H)one
11(13benzodioxol5ylmethyl)3methoxy12cmethyl566a6b71112c131414adecahydro12Hnaphtho(2145)indeno(1245)thieno(23d)pyrimidin12one
1574320312
18(13benzodioxol5ylmethyl)7methoxy14methyl22thia1820diazahexacyclo(121000^(211)0^(510)0^(1523)0^(1621))tetracosa5(10)6815(23)16(21)19hexaen17one
71826593
InChI=1SC31H30N2O4Sc13110921207519(352)1218(20)4622(21)23(31)132628(31)2729(3826)321533(30(27)34)1417382425(1117)37163624h35781112152123H46910131416H212H3
MFCD28051243
ZINC000108237709
ZINC000247947262
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