Vitas-M small molecule compound
ethyl (2E)-3-(chloroacetyl)-2-[(2E)-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)hydrazinylidene]-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL446132
SMILES CCOC(=O)c1cs/c(=N/N=C/2\CC(=O)c3c2cccc3)/n1C(=O)CCl
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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 C17H14ClN3O4S MW 391.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O4S/c1-2-25-16(24)13-9-26-17(21(13)15(23)8-18)20-19-12-7-14(22)11-6-4-3-5-10(11)12/h3-6,9H,2,7-8H2,1H3/b19-12+,20-17+InChIKey
UEJWUMUIJKOOQG-PVYFLZRGSA-NSynonyms
CCOC(=O)C1=CSC(=NN=C2CC(=O)C3=CC=CC=C23)N1C(=O)CCl
CCOC(=O)c1csc(=NN=C2CC(=O)c3c2cccc3)n1C(=O)CCl
ETHYL(2E)3(2CHLOROACETYL)2((E)(3OXOINDEN1YLIDENE)HYDRAZINYLIDENE)13THIAZOLE4CARBOXYLATE
ethyl(2E)3(chloroacetyl)2((2E)(3oxo23dihydro1Hinden1ylidene)hydrazinylidene)23dihydro13thiazole4carboxylate
InChI=1SC17H14ClN3O4Sc122516(24)1392617(21(13)15(23)818)201912714(22)11643510(11)12h369H278H21H3b1912+2017+
MFCD06241775
ZINC000101392033
ZINC101392029
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