Vitas-M small molecule compound

ethyl 2-(1,3-benzothiazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate

Catalog ID
STL070945
SMILES CCOC(=O)c1c(CSc2ccc(cc2)C)nc(nc1C)Nc1nc2c(s1)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 C23H22N4O2S2 MW 450.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O2S2/c1-4-29-21(28)20-15(3)24-22(27-23-26-17-7-5-6-8-19(17)31-23)25-18(20)13-30-16-11-9-14(2)10-12-16/h5-12H,4,13H2,1-3H3,(H,24,25,26,27)
InChIKey
QDCKRKAGUXGING-UHFFFAOYSA-N
Synonyms
669746-24-1
669746241
CCOC(=O)C1=C(N=C(N=C1CSC2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4S3)C
ethyl2(13benzothiazol2ylamino)4methyl6(((4methylphenyl)sulfanyl)methyl)pyrimidine5carboxylate
ETHYL2(13BENZOTHIAZOL2YLAMINO)4METHYL6((4METHYLPHENYL)SULFANYLMETHYL)PYRIMIDINE5CARBOXYLATE
ethyl2(benzo(d)thiazol2ylamino)4methyl6((ptolylthio)methyl)pyrimidine5carboxylate
InChI=1SC23H22N4O2S2c142921(28)2015(3)2422(27232617756819(17)3123)2518(20)13301611914(2)101216h512H413H213H3(H24252627)
MFCD04164533
ZINC000009015964
ZINC09015964
ZINC9015964

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Available files

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