Vitas-M small molecule compound
benzyl (2E)-2-(2,3-dimethoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK813404
SMILES COc1c(OC)cccc1/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)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 C28H24N2O5S2 MW 532.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5S2/c1-17-23(27(32)35-16-18-9-5-4-6-10-18)24(21-13-8-14-36-21)30-26(31)22(37-28(30)29-17)15-19-11-7-12-20(33-2)25(19)34-3/h4-15,24H,16H2,1-3H3/b22-15+InChIKey
BGIUXRQFCNLYBG-PXLXIMEGSA-NSynonyms
617696-93-2617696932
benzyl(2E)2((23dimethoxyphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2E)2(23dimethoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL2(23DIMETHOXYBENZYLIDENE)7METHYL3OXO5(THIOPHEN2YL)35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=O)C(=CC3=C(C(=CC=C3)OC)OC)SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
COc1c(OC)cccc1C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
InChI=1SC28H24N2O5S2c11723(27(32)35161895461018)24(21138143621)3026(31)22(3728(30)2917)15191171220(332)25(19)343h41524H16H213H3b2215+
MFCD04441537
ZINC000100871395
ZINC000100871396
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