Vitas-M small molecule compound
(5E)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL040480
SMILES COc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)/C1=O)O
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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 C27H22ClN3O4 MW 487.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O4/c1-35-21-9-7-20(8-10-21)31-26(33)22(25(32)29-27(31)34)15-17-6-11-24-18(14-17)12-13-30(24)16-19-4-2-3-5-23(19)28/h2-11,14-15H,12-13,16H2,1H3,(H,29,32,34)/b22-15+InChIKey
OSVIVGFCTRWVII-PXLXIMEGSA-NSynonyms
714920-95-3(5E)5((1((2CHLOROPHENYL)METHYL)23DIHYDROINDOL5YL)METHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
(5E)5((1(2chlorobenzyl)23dihydro1Hindol5yl)methylidene)6hydroxy3(4methoxyphenyl)pyrimidine24(3H5H)dione
714920953
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CC4)CC5=CC=CC=C5Cl)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)N=C(C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O)O
InChI=1SC27H22ClN3O4c135219720(81021)3126(33)22(25(32)2927(31)34)15176112418(1417)121330(24)1619423523(19)28h2111415H121316H21H3(H293234)b2215+
MFCD05733172
ZINC000002263732
ZINC2263732
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