Vitas-M small molecule compound
benzyl (2E)-2-(2,5-dimethoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK813412
SMILES COc1ccc(c(c1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C)OC
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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/c1-17-24(27(32)35-16-18-8-5-4-6-9-18)25(22-10-7-13-36-22)30-26(31)23(37-28(30)29-17)15-19-14-20(33-2)11-12-21(19)34-3/h4-15,25H,16H2,1-3H3/b23-15+InChIKey
PESDSGKOPAUORE-HZHRSRAPSA-NSynonyms
617697-01-5617697015
benzyl(2E)2((25dimethoxyphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2E)2(25dimethoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL2(25DIMETHOXYBENZYLIDENE)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
COc1ccc(c(c1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C)OC
InChI=1SC28H24N2O5S2c11724(27(32)3516188546918)25(22107133622)3026(31)23(3728(30)2917)15191420(332)111221(19)343h41525H16H213H3b2315+
MFCD04441544
ZINC000100871407
ZINC000100871409
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