Vitas-M small molecule compound

methyl 4-chloro-2-{[(2E)-3-(thiophen-2-yl)prop-2-enoyl]amino}benzoate

Catalog ID
STK952956
SMILES COC(=O)c1ccc(cc1NC(=O)/C=C/c1cccs1)Cl

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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 C15H12ClNO3S MW 321.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClNO3S/c1-20-15(19)12-6-4-10(16)9-13(12)17-14(18)7-5-11-3-2-8-21-11/h2-9H,1H3,(H,17,18)/b7-5+
InChIKey
WCUNYAKBFUHHFB-FNORWQNLSA-N
Synonyms
868153-98-4
868153984
COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C=CC2=CC=CS2
COC(=O)c1ccc(cc1NC(=O)C=Cc1cccs1)Cl
InChI=1SC15H12ClNO3Sc12015(19)126410(16)913(12)1714(18)75113282111h29H1H3(H1718)b75+
METHYL2((2E)3(2THIENYL)PROP2ENOYLAMINO)4CHLOROBENZOATE
methyl4chloro2(((2E)3(thiophen2yl)prop2enoyl)amino)benzoate
METHYL4CHLORO2(((E)3THIOPHEN2YLPROP2ENOYL)AMINO)BENZOATE
MFCD06405277
ZINC000002708278
ZINC02708278
ZINC2708278

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Available files

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