Vitas-M small molecule compound
methyl (2E)-2-(2-chlorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797809
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccccc1Cl)/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 C20H15ClN2O3S2 MW 430.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O3S2/c1-11-16(19(25)26-2)17(14-8-5-9-27-14)23-18(24)15(28-20(23)22-11)10-12-6-3-4-7-13(12)21/h3-10,17H,1-2H3/b15-10+InChIKey
KANDDLHGGQZHTR-XNTDXEJSSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3Cl)SC2=N1)C4=CC=CS4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccccc1Cl)s2
InChI=1SC20H15ClN2O3S2c11116(19(25)262)17(148592714)2318(24)15(2820(23)2211)1012634713(12)21h31017H12H3b1510+
methyl(2E)2((2chlorophenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(2chlorobenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2((2CHLOROPHENYL)METHYLIDENE)7METHYL3OXO5(THIOPHEN2YL)2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
MFCD02170712
ZINC000016699925
ZINC000016699927
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