Vitas-M small molecule compound
2-{2-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-4,5-dihydro-1H-imidazol-4-yl}-N-[(2E)-3,4,5,6-tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-ylidene]acetamide
Catalog ID
STL408097
SMILES COc1ccc(cc1)CCN1C(=NC(C1=O)CC(=O)/N=c/1\[nH]c2c(s1)CCC2)O
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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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-28-13-7-5-12(6-8-13)9-10-24-18(26)15(22-20(24)27)11-17(25)23-19-21-14-3-2-4-16(14)29-19/h5-8,15H,2-4,9-11H2,1H3,(H,22,27)(H,21,23,25)InChIKey
GXTQOFDGIITKLB-UHFFFAOYSA-NSynonyms
2(2hydroxy1(2(4methoxyphenyl)ethyl)5oxo45dihydro1Himidazol4yl)N((2E)3456tetrahydro2Hcyclopenta(d)(13)thiazol2ylidene)acetamide
COC1=CC=C(C=C1)CCN2C(=O)C(NC2=O)CC(=O)NC3=NC4=C(S3)CCC4
COc1ccc(cc1)CCN1C(=NC(C1=O)CC(=O)N=c1(nH)c2c(s1)CCC2)O
InChI=1SC20H22N4O4Sc128137512(6813)9102418(26)15(2220(24)27)1117(25)2319211432416(14)2919h5815H24911H21H3(H2227)(H212325)
MFCD30705054
ZINC000096118439
ZINC000206246023
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