Vitas-M small molecule compound

N-{[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl}-4-[(4-chlorobenzyl)oxy]-3-methoxybenzamide

Catalog ID
STK252107
SMILES COc1cc(ccc1OCc1ccc(cc1)Cl)C(=O)NC(=S)Nc1ccc(c(c1)Cl)c1nc2c(s1)cccc2

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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 C29H21Cl2N3O3S2 MW 594.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21Cl2N3O3S2/c1-36-25-14-18(8-13-24(25)37-16-17-6-9-19(30)10-7-17)27(35)34-29(38)32-20-11-12-21(22(31)15-20)28-33-23-4-2-3-5-26(23)39-28/h2-15H,16H2,1H3,(H2,32,34,35,38)
InChIKey
ZEZKTHCUMGTVGU-UHFFFAOYSA-N
Synonyms

COC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl)OCC5=CC=C(C=C5)Cl
InChI=1SC29H21Cl2N3O3S2c136251418(81324(25)3716176919(30)10717)27(35)3429(38)3220111221(22(31)1520)283323423526(23)3928h215H16H21H3(H232343538)
MFCD04072411
N((4(13BENZOTHIAZOL2YL)3CHLOROPHENYL)CARBAMOTHIOYL)4((4CHLOROBENZYL)OXY)3METHOXYBENZAMIDE
N((4(13BENZOTHIAZOL2YL)3CHLOROPHENYL)CARBAMOTHIOYL)4((4CHLOROPHENYL)METHOXY)3METHOXYBENZAMIDE
ZINC000001837827
ZINC1837827

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Available files

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