Vitas-M small molecule compound

(5E)-1-(4-chlorophenyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STK587740
SMILES Clc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCCn2ccnc2)/C1=O)S

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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 C17H16ClN5O2S MW 389.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN5O2S/c18-12-2-4-13(5-3-12)23-16(25)14(15(24)21-17(23)26)10-19-6-1-8-22-9-7-20-11-22/h2-5,7,9-11,19H,1,6,8H2,(H,21,24,26)/b14-10+
InChIKey
RNIORFRVQLLAHE-GXDHUFHOSA-N
Synonyms

(5E)1(4chlorophenyl)5(((3(1Himidazol1yl)propyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(4CHLOROPHENYL)5((3IMIDAZOL1YLPROPYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
C1=CC(=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S)Cl
Clc1ccc(cc1)N1C(=NC(=O)C(=CNCCCn2ccnc2)C1=O)S
InChI=1SC17H16ClN5O2Sc18122413(5312)2316(25)14(15(24)2117(23)26)10196182297201122h25791119H168H2(H212426)b1410+
MFCD07197450
ZINC000019995078
ZINC19995078

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Available files

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