Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-7-[(1,3-benzodioxol-5-ylmethyl)amino]pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL126594
SMILES O=c1[nH]c2nc(NCc3ccc4c(c3)OCO4)ncc2c(=O)n1c1ccc2c(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 C21H15N5O6 MW 433.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O6/c27-19-13-8-23-20(22-7-11-1-3-14-16(5-11)31-9-29-14)24-18(13)25-21(28)26(19)12-2-4-15-17(6-12)32-10-30-15/h1-6,8H,7,9-10H2,(H2,22,23,24,25,28)InChIKey
YDSVHUKHGQWEEP-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)7((13benzodioxol5ylmethyl)amino)pyrimido(45d)pyrimidine24(1H3H)dione
6(13benzodioxol5yl)2(13benzodioxol5ylmethylamino)8Hpyrimido(45d)pyrimidine57dione
C1OC2=C(O1)C=C(C=C2)CNC3=NC=C4C(=N3)NC(=O)N(C4=O)C5=CC6=C(C=C5)OCO6
InChI=1SC21H15N5O6c27191382320(22711131416(511)3192914)2418(13)2521(28)26(19)12241517(612)32103015h168H7910H2(H22223242528)
MFCD20739223
O=c1(nH)c2nc(NCc3ccc4c(c3)OCO4)ncc2c(=O)n1c1ccc2c(c1)OCO2
ZINC000102911785
ZINC102911785
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