Vitas-M small molecule compound
ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}pyrimidine-5-carboxylate
Catalog ID
STK210761
SMILES CCOC(=O)c1cnc(nc1CSc1nc2c(s1)cccc2)Nc1nc(c(s1)C(=O)OCC)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 C22H21N5O4S3 MW 515.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4S3/c1-4-30-18(28)13-10-23-20(27-21-24-12(3)17(34-21)19(29)31-5-2)25-15(13)11-32-22-26-14-8-6-7-9-16(14)33-22/h6-10H,4-5,11H2,1-3H3,(H,23,24,25,27)InChIKey
DUNLOYHQNXDOCN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN=C(N=C1CSC2=NC3=CC=CC=C3S2)NC4=NC(=C(S4)C(=O)OCC)C
ETHYL2((4(13BENZOTHIAZOL2YLSULFANYLMETHYL)5ETHOXYCARBONYLPYRIMIDIN2YL)AMINO)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2((4(BENZOTHIAZOL2YLTHIOMETHYL)5(ETHOXYCARBONYL)PYRIMIDIN2YL)AMINO)4METHYL13THIAZOLE5CARBOXYLATE
ethyl4((13benzothiazol2ylsulfanyl)methyl)2((5(ethoxycarbonyl)4methyl13thiazol2yl)amino)pyrimidine5carboxylate
InChI=1SC22H21N5O4S3c143018(28)13102320(27212412(3)17(3421)19(29)3152)2515(13)1132222614867916(14)3322h610H4511H213H3(H23242527)
MFCD06595325
ZINC000002199649
ZINC02199649
ZINC2199649
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