Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-7-benzyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK381869
SMILES O=C1NC(Nc2c1c1CCN(Cc1s2)Cc1ccccc1)c1ccc2c(c1)OCO2
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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 C23H21N3O3S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S/c27-22-20-16-8-9-26(11-14-4-2-1-3-5-14)12-19(16)30-23(20)25-21(24-22)15-6-7-17-18(10-15)29-13-28-17/h1-7,10,21,25H,8-9,11-13H2,(H,24,27)InChIKey
PXANJWAIEGGWLM-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)7benzyl123568hexahydropyrido(23)thieno(24d)pyrimidin4one
2(13benzodioxol5yl)7benzyl235678hexahydropyrido(4345)thieno(23d)pyrimidin4(1H)one
C1CN(CC2=C1C3=C(S2)NC(NC3=O)C4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6
InChI=1SC23H21N3O3Sc272220168926(11144213514)1219(16)3023(20)2521(2422)15671718(1015)29132817h17102125H891113H2(H2427)
MFCD02604403
ZINC000006732676
ZINC000006732678
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