Vitas-M small molecule compound
2-(5-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STL038321
SMILES C=CCN1C(=NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O)S
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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 C24H19N3O5S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O5S/c1-3-10-26-23(31)18(20(28)25-24(26)33)12-14-8-9-19(32-2)15(11-14)13-27-21(29)16-6-4-5-7-17(16)22(27)30/h3-9,11-12H,1,10,13H2,2H3,(H,25,28,33)/b18-12-InChIKey
MXFRNFOGDDGKHB-PDGQHHTCSA-NSynonyms
2((5((Z)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHYL)ISOINDOLE13DIONE
2(5((Z)(46dioxo1(prop2en1yl)2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
C=CCN1C(=NC(=O)C(=Cc2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)C1=O)S
COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)CN3C(=O)C4=CC=CC=C4C3=O
InChI=1SC24H19N3O5Sc13102623(31)18(20(28)2524(26)33)12148919(322)15(1114)132721(29)16645717(16)22(27)30h391112H11013H22H3(H252833)b1812
MFCD03818591
ZINC000017180642
ZINC17180642
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