Vitas-M small molecule compound
(11aS)-5-(4-hydroxyphenyl)-2-(prop-2-en-1-yl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Catalog ID
STL525178
SMILES C=CCN1C(=S)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)O)[nH]c2c1cccc2
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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 C22H19N3O2S MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O2S/c1-2-11-24-21(27)18-12-16-15-5-3-4-6-17(15)23-19(16)20(25(18)22(24)28)13-7-9-14(26)10-8-13/h2-10,18,20,23,26H,1,11-12H2/t18-,20?/m0/s1InChIKey
IGGRWIKPTSTCDN-LROBGIAVSA-NSynonyms
1214630-95-1(11aS)2allyl5(4hydroxyphenyl)3thioxo23561111ahexahydro1Himidazo(1516)pyrido(34b)indol1one
(11aS)5(4hydroxyphenyl)2(prop2en1yl)3thioxo23561111ahexahydro1Himidazo(1516)pyrido(34b)indol1one
(15~(S))10(4hydroxyphenyl)13prop2enyl12sulfanylidene81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen14one
1214630951
16395049
C=CCN1C(=S)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)O)(nH)c2c1cccc2
InChI=1SC22H19N3O2Sc12112421(27)18121615534617(15)2319(16)20(25(18)22(24)28)137914(26)10813h21018202326H11112H2t1820?m0s1
MFCD01081794
ZINC000000763025
ZINC000001229894
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