Vitas-M small molecule compound

dimethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STK001106
SMILES COC(=O)c1cc(cc(c1)C(=O)OC)NC(=O)c1sc2c(c1Cl)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 C19H14ClNO5S MW 403.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClNO5S/c1-25-18(23)10-7-11(19(24)26-2)9-12(8-10)21-17(22)16-15(20)13-5-3-4-6-14(13)27-16/h3-9H,1-2H3,(H,21,22)
InChIKey
FPWSZRJXMODXFV-UHFFFAOYSA-N
Synonyms
335207-09-5
335207095
COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)OC
COC(=O)c1cc(cc(c1)C(=O)OC)NC(=O)c1sc2c(c1Cl)cccc2
DIMETHYL5(((3CHLORO1BENZOTHIOPHEN2YL)CARBONYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5((3CHLORO1BENZOTHIOPHENE2CARBONYL)AMINO)BENZENE13DICARBOXYLATE
dimethyl5(3chlorobenzo(b)thiophene2carboxamido)isophthalate
InChI=1SC19H14ClNO5Sc12518(23)10711(19(24)262)912(810)2117(22)1615(20)13534614(13)2716h39H12H3(H2122)
METHYL5((3CHLOROBENZO(B)THIOPHEN2YL)CARBONYLAMINO)3(METHOXYCARBONYL)BENZOATE
MFCD01474706
STK001106
ZINC000000873281
ZINC00873281
ZINC873281

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Available files

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