Vitas-M small molecule compound
ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Catalog ID
STK210094
SMILES CCOC(=O)c1cnc(nc1CSc1nnnn1c1ccccc1)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 C22H18N8O2S2 MW 490.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N8O2S2/c1-2-32-19(31)15-12-23-20(26-21-25-16-10-6-7-11-18(16)34-21)24-17(15)13-33-22-27-28-29-30(22)14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,23,24,25,26)InChIKey
XKTCAUZGTGXBGT-UHFFFAOYSA-NSynonyms
878973-62-7CCOC(=O)C1=CN=C(N=C1CSC2=NN=NN2C3=CC=CC=C3)NC4=NC5=CC=CC=C5S4
ethyl2(13benzothiazol2ylamino)4(((1phenyl1Htetrazol5yl)sulfanyl)methyl)pyrimidine5carboxylate
ETHYL2(13BENZOTHIAZOL2YLAMINO)4((1PHENYLTETRAZOL5YL)SULFANYLMETHYL)PYRIMIDINE5CARBOXYLATE
ethyl2(benzo(d)thiazol2ylamino)4(((1phenyl1Htetrazol5yl)thio)methyl)pyrimidine5carboxylate
InChI=1SC22H18N8O2S2c123219(31)15122320(2621251610671118(16)3421)2417(15)13332227282930(22)148435914h312H213H21H3(H23242526)
MFCD05844012
ZINC09014087
ZINC9014087
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