Vitas-M small molecule compound
(11aS)-5-(1,3-benzodioxol-5-yl)-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
STL524494
SMILES C=CCN1C(=S)N2[C@H](C1=O)Cc1c(C2c2ccc3c(c2)OCO3)[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 C23H19N3O3S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O3S/c1-2-9-25-22(27)17-11-15-14-5-3-4-6-16(14)24-20(15)21(26(17)23(25)30)13-7-8-18-19(10-13)29-12-28-18/h2-8,10,17,21,24H,1,9,11-12H2/t17-,21?/m0/s1InChIKey
OKLQMOXZQSSISL-PBVYKCSPSA-NSynonyms
312964-72-0(11aS)2allyl5(benzo(d)(13)dioxol5yl)3thioxo23561111ahexahydro1Himidazo(1516)pyrido(34b)indol1one
(11aS)5(13benzodioxol5yl)2(prop2en1yl)3thioxo23561111ahexahydro1Himidazo(1516)pyrido(34b)indol1one
(15~(S))10(13benzodioxol5yl)13prop2enyl12sulfanylidene81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen14one
16395120
312964720
C=CCN1C(=S)N2(C@H)(C1=O)Cc1c(C2c2ccc3c(c2)OCO3)(nH)c2c1cccc2
InChI=1SC23H19N3O3Sc1292522(27)17111514534616(14)2420(15)21(26(17)23(25)30)13781819(1013)29122818h2810172124H191112H2t1721?m0s1
MFCD01084194
ZINC000004023320
ZINC000004023321
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