Vitas-M small molecule compound

4-(dimethylamino)benzoic acid - 4-(dimethylamino)-N-(2-oxotetrahydrothiophen-3-yl)benzamide (1:1)

Catalog ID
STK085142
SMILES CN(c1ccc(cc1)C(=O)O)C.CN(c1ccc(cc1)C(=O)NC1CCSC1=O)C

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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 C22H27N3O4S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O2S.C9H11NO2/c1-15(2)10-5-3-9(4-6-10)12(16)14-11-7-8-18-13(11)17;1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6,11H,7-8H2,1-2H3,(H,14,16);3-6H,1-2H3,(H,11,12)
InChIKey
LCZCSYWCCUFIIQ-UHFFFAOYSA-N
Synonyms
1048359-53-0
1048359530
4(DIMETHYLAMINO)BENZOICACID4(DIMETHYLAMINO)N(2OXOTETRAHYDROTHIOPHEN3YL)BENZAMIDE(11)
4(dimethylamino)benzoicacid4(dimethylamino)N(2oxothiolan3yl)benzamide
CN(C)C1=CC=C(C=C1)C(=O)NC2CCSC2=OCN(C)C1=CC=C(C=C1)C(=O)O
CN(c1ccc(cc1)C(=O)O)CCN(c1ccc(cc1)C(=O)NC1CCSC1=O)C
InChI=1SC13H16N2O2SC9H11NO2c115(2)10539(4610)12(16)1411781813(11)17110(2)8537(468)9(11)12h3611H78H212H3(H1416)36H12H3(H1112)
MFCD03614702
STK085142
ZINC000000318375
ZINC000000318378

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Available files

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