Vitas-M small molecule compound
2-{5-[(Z)-{4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-thioxotetrahydropyrimidin-5(2H)-ylidene}methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK549709
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(C)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 C30H25N3O5S MW 539.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O5S/c1-17(2)19-9-11-21(12-10-19)33-29(37)24(26(34)31-30(33)39)15-18-8-13-25(38-3)20(14-18)16-32-27(35)22-6-4-5-7-23(22)28(32)36/h4-15,17H,16H2,1-3H3,(H,31,34,39)/b24-15-InChIKey
GZBVZNPBRVBKJR-IWIPYMOSSA-NSynonyms
799834-76-7(Z)2(5((1(4isopropylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)isoindoline13dione
2((5((Z)(46DIOXO1(4PROPAN2YLPHENYL)2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHYL)ISOINDOLE13DIONE
2(5((Z)(46dioxo1(4(propan2yl)phenyl)2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
799834767
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)NC2=S
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(C)C
InChI=1SC30H25N3O5Sc117(2)1991121(121019)3329(37)24(26(34)3130(33)39)151881325(383)20(1418)163227(35)22645723(22)28(32)36h41517H16H213H3(H313439)b2415
MFCD03685041
ZINC000101000173
ZINC101000173
Check stock
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