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Vitas-M small molecule compound

ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(diethylcarbamothioyl)sulfanyl]methyl}pyrimidine-5-carboxylate

Catalog ID
STK167374
SMILES CCOC(=O)c1cnc(nc1CSC(=S)N(CC)CC)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 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-N
Synonyms
669718-83-6
2(13BENZOXAZOL2YLAMINO)4(((DIETHYLAMINO(SULFANYLIDENE)METHYL)THIO)METHYL)5PYRIMIDINECARBOXYLICACIDETHYLESTER
2(13BENZOXAZOL2YLAMINO)4((DIETHYLTHIOCARBAMOYLTHIO)METHYL)PYRIMIDINE5CARBOXYLICACIDETHYLESTER
2(BENZOOXAZOL2YLAMINO)4DIETHYLTHIOCARBAMOYLSULFANYLMETHYLPYRIMIDINE5CARBOXYLICACIDETHYLESTER
669718836
CCN(CC)C(=S)SCC1=NC(=NC=C1C(=O)OCC)NC2=NC3=CC=CC=C3O2
ETHYL2((2Z)13BENZOXAZOL2(3H)YLIDENEAMINO)4(((DIETHYLCARBAMOTHIOYL)SULFANYL)METHYL)PYRIMIDINE5CARBOXYLATE
ETHYL2(13BENZOXAZOL2YLAMINO)4(((DIETHYLCARBAMOTHIOYL)SULFANYL)METHYL)PYRIMIDINE5CARBOXYLATE
ETHYL2(13BENZOXAZOL2YLAMINO)4(DIETHYLCARBAMOTHIOYLSULFANYLMETHYL)PYRIMIDINE5CARBOXYLATE
ethyl2(benzo(d)oxazol2ylamino)4(((diethylcarbamothioyl)thio)methyl)pyrimidine5carboxylate
InChI=1SC20H23N5O3S2c1425(52)20(29)30121513(17(26)2763)112118(2215)241923149781016(14)2819h711H4612H213H3(H21222324)
MFCD04154631
ZINC09009893
ZINC9009893

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Available files

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