Vitas-M small molecule compound
ethyl [(2E)-2-{[3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)butanoyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]acetate
Catalog ID
STL410078
SMILES CCOC(=O)Cc1cs/c(=N/C(=O)CC(c2ccc(cc2)Cl)Cn2cccc2)/[nH]1
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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 C21H22ClN3O3S MW 431.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O3S/c1-2-28-20(27)12-18-14-29-21(23-18)24-19(26)11-16(13-25-9-3-4-10-25)15-5-7-17(22)8-6-15/h3-10,14,16H,2,11-13H2,1H3,(H,23,24,26)InChIKey
XHTBASUDJSKUCR-UHFFFAOYSA-NSynonyms
1574530-60-11574530601
CCOC(=O)CC1=CSC(=N1)NC(=O)CC(CN2C=CC=C2)C3=CC=C(C=C3)Cl
CCOC(=O)Cc1csc(=NC(=O)CC(c2ccc(cc2)Cl)Cn2cccc2)(nH)1
ethyl((2E)2((3(4chlorophenyl)4(1Hpyrrol1yl)butanoyl)imino)23dihydro13thiazol4yl)acetate
ethyl2(2((3(4chlorophenyl)4pyrrol1ylbutanoyl)amino)13thiazol4yl)acetate
InChI=1SC21H22ClN3O3Sc122820(27)1218142921(2318)2419(26)1116(13259341025)155717(22)8615h3101416H21113H21H3(H232426)
MFCD30706026
ZINC000096224337
ZINC000096224339
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