Vitas-M small molecule compound

2-chloro-N-{2-methoxy-4-[(pentanoylcarbamothioyl)amino]phenyl}benzamide

Catalog ID
STK397667
SMILES CCCCC(=O)NC(=S)Nc1ccc(c(c1)OC)NC(=O)c1ccccc1Cl

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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 C20H22ClN3O3S MW 419.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O3S/c1-3-4-9-18(25)24-20(28)22-13-10-11-16(17(12-13)27-2)23-19(26)14-7-5-6-8-15(14)21/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,26)(H2,22,24,25,28)
InChIKey
GVPCDDVHVALIKC-UHFFFAOYSA-N
Synonyms

2chloroN(2methoxy4((pentanoylcarbamothioyl)amino)phenyl)benzamide
2CHLORON(2METHOXY4(PENTANOYLCARBAMOTHIOYLAMINO)PHENYL)BENZAMIDE
CCCCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2Cl)OC
InChI=1SC20H22ClN3O3Sc134918(25)2420(28)2213101116(17(1213)272)2319(26)14756815(14)21h581012H349H212H3(H2326)(H222242528)
MFCD05849529
ZINC000002884334
ZINC02884334
ZINC2884334

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Available files

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