Vitas-M small molecule compound
methyl (2E)-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798383
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(c(c1)OC)OC)/s2
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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 C22H20N2O5S2 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S2/c1-12-18(21(26)29-4)19(16-6-5-9-30-16)24-20(25)17(31-22(24)23-12)11-13-7-8-14(27-2)15(10-13)28-3/h5-11,19H,1-4H3/b17-11+InChIKey
KWXNLBOOBGUVRB-GZTJUZNOSA-NSynonyms
(Z)methyl2(34dimethoxybenzylidene)7methyl3oxo5(thiophen2yl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OC)OC)SC2=N1)C4=CC=CS4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(c(c1)OC)OC)s2
InChI=1SC22H20N2O5S2c11218(21(26)294)19(166593016)2420(25)17(3122(24)2312)11137814(272)15(1013)283h51119H14H3b1711+
METHYL(2E)2((34DIMETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2E)2(34dimethoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD01072503
ZINC000013591004
ZINC000013591005
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