Vitas-M small molecule compound
benzyl (2Z)-2-[(2Z)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK813422
SMILES COc1ccccc1/C=C\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 C29H24N2O4S2 MW 528.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O4S2/c1-19-25(28(33)35-18-20-10-4-3-5-11-20)26(23-16-9-17-36-23)31-27(32)24(37-29(31)30-19)15-8-13-21-12-6-7-14-22(21)34-2/h3-17,26H,18H2,1-2H3/b13-8-,24-15-InChIKey
KWODEOVZNNVGQD-IUDNYTSFSA-NSynonyms
benzyl(2Z)2((2Z)3(2methoxyphenyl)prop2en1ylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2Z)2((Z)3(2methoxyphenyl)prop2enylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL2(3(2METHOXYPHENYL)ALLYLIDENE)7METHYL3OXO5(THIOPHEN2YL)35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=O)C(=CC=CC3=CC=CC=C3OC)SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
COc1ccccc1C=CC=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
InChI=1SC29H24N2O4S2c11925(28(33)351820104351120)26(23169173623)3127(32)24(3729(31)3019)158132112671422(21)342h31726H18H212H3b1382415
MFCD04441553
ZINC000100871423
ZINC000100871424
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