Vitas-M small molecule compound
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(piperidin-1-ylcarbonothioyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Catalog ID
STK167375
SMILES CCOC(=O)c1cnc(nc1CSC(=S)N1CCCCC1)Nc1nc2c(o1)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 C21H23N5O3S2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S2/c1-2-28-18(27)14-12-22-19(25-20-24-15-8-4-5-9-17(15)29-20)23-16(14)13-31-21(30)26-10-6-3-7-11-26/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3,(H,22,23,24,25)InChIKey
KIPVPYZOKIOHKZ-UHFFFAOYSA-NSynonyms
669718-84-72(BENZOOXAZOL2YLAMINO)4(PIPERIDINE1CARBOTHIOYLSULFANYLMETHYL)PYRIMIDINE5CARBOXYLICACIDETHYLESTER
669718847
CCOC(=O)C1=CN=C(N=C1CSC(=S)N2CCCCC2)NC3=NC4=CC=CC=C4O3
ETHYL2(13BENZOXAZOL2YLAMINO)4(((PIPERIDIN1YLCARBONOTHIOYL)SULFANYL)METHYL)PYRIMIDINE5CARBOXYLATE
ETHYL2(13BENZOXAZOL2YLAMINO)4(PIPERIDINE1CARBOTHIOYLSULFANYLMETHYL)PYRIMIDINE5CARBOXYLATE
ethyl2(benzo(d)oxazol2ylamino)4(((piperidine1carbonothioyl)thio)methyl)pyrimidine5carboxylate
ETHYL2(BENZOXAZOL2YLAMINO)4((PIPERIDYLTHIOXOMETHYLTHIO)METHYL)PYRIMIDINE5CARBOXYLATE
InChI=1SC21H23N5O3S2c122818(27)14122219(25202415845917(15)2920)2316(14)133121(30)26106371126h458912H2367101113H21H3(H22232425)
MFCD04188650
ZINC000009111187
ZINC09111187
ZINC9111187
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