Vitas-M small molecule compound

methyl 2-[({2-[(5-bromofuran-2-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK437296
SMILES COC(=O)c1c(NC(=S)NNC(=O)c2ccc(o2)Br)sc(c1C)C

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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 C14H14BrN3O4S2 MW 432.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14BrN3O4S2/c1-6-7(2)24-12(10(6)13(20)21-3)16-14(23)18-17-11(19)8-4-5-9(15)22-8/h4-5H,1-3H3,(H,17,19)(H2,16,18,23)
InChIKey
HDQXDHWPNVUARB-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(O2)Br)C
InChI=1SC14H14BrN3O4S2c167(2)2412(10(6)13(20)213)1614(23)181711(19)8459(15)228h45H13H3(H1719)(H2161823)
METHYL2(((((5BROMO(2FURYL))CARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
methyl2(((2((5bromofuran2yl)carbonyl)hydrazinyl)carbonothioyl)amino)45dimethylthiophene3carboxylate
METHYL2(((5BROMOFURAN2CARBONYL)AMINO)CARBAMOTHIOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD03944889
ZINC000017097812
ZINC17097812

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Available files

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