Vitas-M small molecule compound

(5Z)-1-(3-chlorophenyl)-5-[({3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxyphenyl}amino)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STL359573
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)N/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)Cl

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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 C27H19ClN4O6 MW 530.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN4O6/c1-38-22-10-9-17(11-15(22)14-31-24(34)19-7-2-3-8-20(19)25(31)35)29-13-21-23(33)30-27(37)32(26(21)36)18-6-4-5-16(28)12-18/h2-13,29H,14H2,1H3,(H,30,33,37)/b21-13-
InChIKey
YIHGFGSMKBPTJM-BKUYFWCQSA-N
Synonyms

(5Z)1(3chlorophenyl)5(((3((13dioxo13dihydro2Hisoindol2yl)methyl)4methoxyphenyl)amino)methylidene)pyrimidine246(1H3H5H)trione
(5Z)1(3chlorophenyl)5((3((13dioxoisoindol2yl)methyl)4methoxyanilino)methylidene)13diazinane246trione
COC1=C(C=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Cl)CN4C(=O)C5=CC=CC=C5C4=O
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)NC=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)Cl
InChI=1SC27H19ClN4O6c1382210917(1115(22)143124(34)19723820(19)25(31)35)29132123(33)3027(37)32(26(21)36)1864516(28)1218h21329H14H21H3(H303337)b2113
MFCD28033757
ZINC000101148917
ZINC101148917

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Available files

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