Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-7-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL127284
SMILES Clc1ccc(c(c1)N1CCN(CC1)c1ncc2c(n1)[nH]c(=O)n(c2=O)c1ccc2c(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 C24H21ClN6O4 MW 492.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN6O4/c1-14-2-3-15(25)10-18(14)29-6-8-30(9-7-29)23-26-12-17-21(27-23)28-24(33)31(22(17)32)16-4-5-19-20(11-16)35-13-34-19/h2-5,10-12H,6-9,13H2,1H3,(H,26,27,28,33)InChIKey
YITBURSTBVVHEK-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)7(4(5chloro2methylphenyl)piperazin1yl)pyrimido(45d)pyrimidine24(1H3H)dione
6(13benzodioxol5yl)2(4(5chloro2methylphenyl)piperazin1yl)8Hpyrimido(45d)pyrimidine57dione
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC=C4C(=N3)NC(=O)N(C4=O)C5=CC6=C(C=C5)OCO6
Clc1ccc(c(c1)N1CCN(CC1)c1ncc2c(n1)(nH)c(=O)n(c2=O)c1ccc2c(c1)OCO2)C
InChI=1SC24H21ClN6O4c1142315(25)1018(14)296830(9729)2326121721(2723)2824(33)31(22(17)32)16451920(1116)35133419h251012H6913H21H3(H26272833)
MFCD20740200
ZINC000067262808
ZINC67262808
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