Vitas-M small molecule compound

methyl 3-chloro-6-[({2-[hydroxy(diphenyl)acetyl]hydrazinyl}carbonothioyl)amino]-1-benzothiophene-2-carboxylate

Catalog ID
STK457803
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)NNC(=O)C(c1ccccc1)(c1ccccc1)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 C25H20ClN3O4S2 MW 526.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O4S2/c1-33-22(30)21-20(26)18-13-12-17(14-19(18)35-21)27-24(34)29-28-23(31)25(32,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,32H,1H3,(H,28,31)(H2,27,29,34)
InChIKey
OHAMWJJPNTZMBB-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)Cl
InChI=1SC25H20ClN3O4S2c13322(30)2120(26)18131217(1419(18)3521)2724(34)292823(31)25(32158425915)16106371116h21432H1H3(H2831)(H2272934)
METHYL3CHLORO6((((2HYDROXY22DIPHENYLACETYLAMINO)AMINO)THIOXOMETHYL)AMINO)BENZO(B)THIOPHENE2CARBOXYLATE
methyl3chloro6(((2(hydroxy(diphenyl)acetyl)hydrazinyl)carbonothioyl)amino)1benzothiophene2carboxylate
METHYL3CHLORO6(((2(HYDROXY(DIPHENYL)ACETYL)HYDRAZINYL)CARBOTHIOYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
METHYL3CHLORO6(((2HYDROXY22DIPHENYLACETYL)AMINO)CARBAMOTHIOYLAMINO)1BENZOTHIOPHENE2CARBOXYLATE
MFCD04137196
ZINC000002850888
ZINC2850888

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Available files

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