Vitas-M small molecule compound

2-(5-{(E)-[1-(2-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione

Catalog ID
STL328035
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1Cl

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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 C27H18ClN3O5S MW 531.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN3O5S/c1-36-22-11-10-15(12-16(22)14-30-24(33)17-6-2-3-7-18(17)25(30)34)13-19-23(32)29-27(37)31(26(19)35)21-9-5-4-8-20(21)28/h2-13H,14H2,1H3,(H,29,32,37)/b19-13+
InChIKey
OVXJRWZCDBBFEK-CPNJWEJPSA-N
Synonyms

(Z)2(5((1(2chlorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)isoindoline13dione
2((5((E)(1(2CHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHYL)ISOINDOLE13DIONE
2(5((E)(1(2chlorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3Cl)CN4C(=O)C5=CC=CC=C5C4=O
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1Cl
InChI=1SC27H18ClN3O5Sc13622111015(1216(22)143024(33)17623718(17)25(30)34)131923(32)2927(37)31(26(19)35)21954820(21)28h213H14H21H3(H293237)b1913+
MFCD28032056
ZINC000100291865
ZINC100291865

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.