Vitas-M small molecule compound

5-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid

Catalog ID
STK069638
SMILES CCCCOc1cccc(c1)C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)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 C19H19ClN2O4S MW 406.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O4S/c1-2-3-9-26-14-6-4-5-12(10-14)17(23)22-19(27)21-13-7-8-16(20)15(11-13)18(24)25/h4-8,10-11H,2-3,9H2,1H3,(H,24,25)(H2,21,22,23,27)
InChIKey
GQKVDFVHCLPEEN-UHFFFAOYSA-N
Synonyms
434286-98-3
434286983
5(((((3BUTOXYPHENYL)OXOMETHYL)AMINO)SULFANYLIDENEMETHYL)AMINO)2CHLOROBENZOICACID
5((((3BUTOXYBENZOYL)AMINO)CARBONOTHIOYL)AMINO)2CHLOROBENZOICACID
5((((3BUTOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)2CHLOROBENZOICACID
5((3BUTOXYBENZOYL)CARBAMOTHIOYLAMINO)2CHLOROBENZOICACID
5((3BUTOXYBENZOYL)THIOCARBAMOYLAMINO)2CHLOROBENZOICACID
5((3BUTOXYPHENYL)CARBONYLCARBAMOTHIOYLAMINO)2CHLORANYLBENZOICACID
5(3(3butoxybenzoyl)thioureido)2chlorobenzoicacid
BENZOICACID5((((3BUTOXYBENZOYL)AMINO)THIOXOMETHYL)AMINO)2CHLORO
CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O
CCCCOc1cccc(c1)C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl
InChI=1SC19H19ClN2O4Sc1239261464512(1014)17(23)2219(27)21137816(20)15(1113)18(24)25h481011H239H21H3(H2425)(H221222327)
MFCD03453801
STK069638
ZINC000002213790
ZINC2213790

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Available files

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