Vitas-M small molecule compound
3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate
Catalog ID
STL349638
SMILES CC(=O)Oc1ccc2c(c1)occ(c2=O)/C=N/NC(=S)N
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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 C13H11N3O4S MW 305.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O4S/c1-7(17)20-9-2-3-10-11(4-9)19-6-8(12(10)18)5-15-16-13(14)21/h2-6H,1H3,(H3,14,16,21)/b15-5+InChIKey
NDHJWLIRAXAFKQ-PJQLUOCWSA-NSynonyms
899401-21-9(3((E)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)4OXOCHROMEN7YL)ACETATE
(E)3((2carbamothioylhydrazono)methyl)4oxo4Hchromen7ylacetate
3((E)(2carbamothioylhydrazinylidene)methyl)4oxo4Hchromen7ylacetate
899401219
CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C=NNC(=S)N
CC(=O)Oc1ccc2c(c1)occ(c2=O)C=NNC(=S)N
InChI=1SC13H11N3O4Sc17(17)209231011(49)1968(12(10)18)5151613(14)21h26H1H3(H3141621)b155+
MFCD03661445
ZINC000000488605
ZINC33318752
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