Vitas-M small molecule compound

methyl 5-benzyl-2-[({3-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}carbamothioyl)amino]thiophene-3-carboxylate

Catalog ID
STK455615
SMILES COC(=O)c1cc(sc1NC(=S)Nc1cccc(c1)Cn1ncc(c1)Cl)Cc1ccccc1

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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 C24H21ClN4O2S2 MW 497.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN4O2S2/c1-31-23(30)21-12-20(11-16-6-3-2-4-7-16)33-22(21)28-24(32)27-19-9-5-8-17(10-19)14-29-15-18(25)13-26-29/h2-10,12-13,15H,11,14H2,1H3,(H2,27,28,32)
InChIKey
GWUTWNNEHKAIHT-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Cl
InChI=1SC24H21ClN4O2S2c13123(30)211220(11166324716)3322(21)2824(32)271995817(1019)14291518(25)132629h210121315H1114H21H3(H2272832)
METHYL2((((3((4CHLOROPYRAZOLYL)METHYL)PHENYL)AMINO)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
methyl5benzyl2(((3((4chloro1Hpyrazol1yl)methyl)phenyl)carbamothioyl)amino)thiophene3carboxylate
METHYL5BENZYL2((3((4CHLOROPYRAZOL1YL)METHYL)PHENYL)CARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD04228161
ZINC000002852988
ZINC02852988
ZINC2852988

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Available files

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