Vitas-M small molecule compound
4-(2-aminoethyl)-3-(3-chlorophenyl)-5-oxo-2,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK893766
SMILES NCCc1c([nH]n(c1=O)C(=S)N)c1cccc(c1)Cl
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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 C12H13ClN4OS MW 296.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClN4OS/c13-8-3-1-2-7(6-8)10-9(4-5-14)11(18)17(16-10)12(15)19/h1-3,6,16H,4-5,14H2,(H2,15,19)InChIKey
ORWSFNGAPSOWFC-UHFFFAOYSA-NSynonyms
4(2aminoethyl)3(3chlorophenyl)5oxo25dihydro1Hpyrazole1carbothioamide
4(2AMINOETHYL)5(3CHLOROPHENYL)3OXO1HPYRAZOLE2CARBOTHIOAMIDE
C1=CC(=CC(=C1)Cl)C2=C(C(=O)N(N2)C(=S)N)CCN
InChI=1SC12H13ClN4OSc1383127(68)109(4514)11(18)17(1610)12(15)19h13616H4514H2(H21519)
MFCD07404087
NCCc1c((nH)n(c1=O)C(=S)N)c1cccc(c1)Cl
ZINC000012404569
ZINC12404569
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