Vitas-M small molecule compound

1-(4-chlorophenyl)-3-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea

Catalog ID
STK308968
SMILES S=C(Nc1cn(nc1C)C)Nc1ccc(cc1)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 C12H13ClN4S MW 280.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClN4S/c1-8-11(7-17(2)16-8)15-12(18)14-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H2,14,15,18)
InChIKey
SIMQARCSGOVFKR-UHFFFAOYSA-N
Synonyms
1005674-21-4
1(4chlorophenyl)3(13dimethyl1Hpyrazol4yl)thiourea
1(4CHLOROPHENYL)3(13DIMETHYLPYRAZOL4YL)THIOUREA
1005674214
CC1=NN(C=C1NC(=S)NC2=CC=C(C=C2)Cl)C
InChI=1SC12H13ClN4Sc1811(717(2)168)1512(18)1410539(13)4610h37H12H3(H2141518)
MFCD04133095
ZINC000002798904
ZINC02798904
ZINC2798904

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.