Vitas-M small molecule compound
methyl (2E)-2-{[3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)butanoyl]imino}-5-methyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL313207
SMILES COC(=O)c1[nH]/c(=N\C(=O)CC(c2ccc(cc2)Cl)Cn2cccc2)/sc1C
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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 C20H20ClN3O3S MW 417.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O3S/c1-13-18(19(26)27-2)23-20(28-13)22-17(25)11-15(12-24-9-3-4-10-24)14-5-7-16(21)8-6-14/h3-10,15H,11-12H2,1-2H3,(H,22,23,25)InChIKey
SRCMZZBBLJDUPF-UHFFFAOYSA-NSynonyms
1574483-83-21574483832
CC1=C(N=C(S1)NC(=O)CC(CN2C=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)CC(c2ccc(cc2)Cl)Cn2cccc2)sc1C
InChI=1SC20H20ClN3O3Sc11318(19(26)272)2320(2813)2217(25)1115(12249341024)145716(21)8614h31015H1112H212H3(H222325)
methyl(2E)2((3(4chlorophenyl)4(1Hpyrrol1yl)butanoyl)imino)5methyl23dihydro13thiazole4carboxylate
methyl2((3(4chlorophenyl)4pyrrol1ylbutanoyl)amino)5methyl13thiazole4carboxylate
MFCD28029970
ZINC000095475345
ZINC000095475346
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