Vitas-M small molecule compound
ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]pyrimidine-5-carboxylate
Catalog ID
STK210546
SMILES CCOC(=O)c1cnc(nc1CSc1nc2c(s1)cccc2)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 C22H17N5O2S3 MW 479.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O2S3/c1-2-29-19(28)13-11-23-20(27-21-25-14-7-3-5-9-17(14)31-21)24-16(13)12-30-22-26-15-8-4-6-10-18(15)32-22/h3-11H,2,12H2,1H3,(H,23,24,25,27)InChIKey
XNPXIKYILFXHPO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN=C(N=C1CSC2=NC3=CC=CC=C3S2)NC4=NC5=CC=CC=C5S4
ethyl2(13benzothiazol2ylamino)4((13benzothiazol2ylsulfanyl)methyl)pyrimidine5carboxylate
ETHYL2(13BENZOTHIAZOL2YLAMINO)4(13BENZOTHIAZOL2YLSULFANYLMETHYL)PYRIMIDINE5CARBOXYLATE
InChI=1SC22H17N5O2S3c122919(28)13112320(27212514735917(14)3121)2416(13)12302226158461018(15)3222h311H212H21H3(H23242527)
MFCD06193701
ZINC000002225399
ZINC02225399
ZINC2225399
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