Vitas-M small molecule compound

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

Catalog ID
STK561122
SMILES CCN(CCCN/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S)CC

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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 C19H25FN4O2S MW 392.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25FN4O2S/c1-3-23(4-2)11-5-10-21-12-16-17(25)22-19(27)24(18(16)26)13-14-6-8-15(20)9-7-14/h6-9,12,21H,3-5,10-11,13H2,1-2H3,(H,22,25,27)/b16-12+
InChIKey
OFJPDGVWWZWIMS-FOWTUZBSSA-N
Synonyms

(5E)5(((3(diethylamino)propyl)amino)methylidene)1(4fluorobenzyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((3(DIETHYLAMINO)PROPYLAMINO)METHYLIDENE)1((4FLUOROPHENYL)METHYL)2SULFANYLIDENE13DIAZINANE46DIONE
CCN(CC)CCCNC=C1C(=O)NC(=S)N(C1=O)CC2=CC=C(C=C2)F
CCN(CCCNC=C1C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S)CC
InChI=1SC19H25FN4O2Sc1323(42)1151021121617(25)2219(27)24(18(16)26)13146815(20)9714h691221H35101113H212H3(H222527)b1612+
MFCD04082038
ZINC000001865211
ZINC1865211

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Available files

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