Vitas-M small molecule compound

tert-butyl 2-[(3-chloro-4-fluorophenyl)carbamothioyl]hydrazinecarboxylate

Catalog ID
STK456764
SMILES O=C(OC(C)(C)C)NNC(=S)Nc1ccc(c(c1)Cl)F

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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 C12H15ClFN3O2S MW 319.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15ClFN3O2S/c1-12(2,3)19-11(18)17-16-10(20)15-7-4-5-9(14)8(13)6-7/h4-6H,1-3H3,(H,17,18)(H2,15,16,20)
InChIKey
DQQPTWLFBMBHDS-UHFFFAOYSA-N
Synonyms

(TERTBUTOXY)N((((3CHLORO4FLUOROPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBOXAMIDE
CC(C)(C)OC(=O)NNC(=S)NC1=CC(=C(C=C1)F)Cl
InChI=1SC12H15ClFN3O2Sc112(23)1911(18)171610(20)157459(14)8(13)67h46H13H3(H1718)(H2151620)
MFCD04247675
tertbutyl2((3chloro4fluorophenyl)carbamothioyl)hydrazinecarboxylate
TERTBUTYLN((3CHLORO4FLUOROPHENYL)CARBAMOTHIOYLAMINO)CARBAMATE
ZINC000002858613
ZINC02858613
ZINC2858613

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Available files

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