Vitas-M small molecule compound

butyl 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate

Catalog ID
STK878333
SMILES CCCCOC(=O)c1ccc(cc1)NC=C1C(=O)NC(=S)NC1=O

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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 C16H17N3O4S MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S/c1-2-3-8-23-15(22)10-4-6-11(7-5-10)17-9-12-13(20)18-16(24)19-14(12)21/h4-7,9,17H,2-3,8H2,1H3,(H2,18,19,20,21,24)
InChIKey
BGSUJBDJQTYXRN-UHFFFAOYSA-N
Synonyms

butyl4(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
butyl4((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)benzoate
CCCCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)NC2=O
InChI=1SC16H17N3O4Sc12382315(22)104611(7510)1791213(20)1816(24)1914(12)21h47917H238H21H3(H21819202124)
MFCD08851940
ZINC000009469624
ZINC09469624
ZINC9469624

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Available files

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