Vitas-M small molecule compound
ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-chlorophenyl)sulfanyl]methyl}-6-methylpyrimidine-5-carboxylate
Catalog ID
STK209936
SMILES CCOC(=O)c1c(CSc2ccc(cc2)Cl)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 C22H19ClN4O2S2 MW 471.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O2S2/c1-3-29-20(28)19-13(2)24-21(27-22-26-16-6-4-5-7-18(16)31-22)25-17(19)12-30-15-10-8-14(23)9-11-15/h4-11H,3,12H2,1-2H3,(H,24,25,26,27)InChIKey
WOFKWHBTDFTXPI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C(N=C1CSC2=CC=C(C=C2)Cl)NC3=NC4=CC=CC=C4S3)C
ETHYL2(13BENZOTHIAZOL2YLAMINO)4(((4CHLOROPHENYL)SULFANYL)METHYL)6METHYLPYRIMIDINE5CARBOXYLATE
ETHYL2(13BENZOTHIAZOL2YLAMINO)4((4CHLOROPHENYL)SULFANYLMETHYL)6METHYLPYRIMIDINE5CARBOXYLATE
ETHYL2(BENZOTHIAZOL2YLAMINO)6((4CHLOROPHENYLTHIO)METHYL)4METHYLPYRIMIDINE5CARBOXYLATE
InChI=1SC22H19ClN4O2S2c132920(28)1913(2)2421(27222616645718(16)3122)2517(19)12301510814(23)91115h411H312H212H3(H24252627)
MFCD05839728
ZINC000002226041
ZINC02226041
ZINC2226041
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