Vitas-M small molecule compound
ethyl 2-[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]-4-{[(diethylcarbamothioyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Catalog ID
STK581517
SMILES CCOC(=O)c1cnc(nc1CSC(=S)N(CC)CC)/N=c/1\oc2c([nH]1)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 C20H23N5O3S2 MW 445.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O3S2/c1-4-25(5-2)20(29)30-12-15-13(17(26)27-6-3)11-21-18(22-15)24-19-23-14-9-7-8-10-16(14)28-19/h7-11H,4-6,12H2,1-3H3,(H,21,22,23,24)InChIKey
GGWFPGAJYPEHPU-UHFFFAOYSA-NSynonyms
669718-83-6CCOC(=O)c1cnc(nc1CSC(=S)N(CC)CC)N=c1oc2c((nH)1)cccc2
MFCD07198372
ZINC000009009893
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