Vitas-M small molecule compound

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

Catalog ID
STL037527
SMILES CCN(CCCN/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1OC)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 C19H26N4O3S MW 390.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N4O3S/c1-4-22(5-2)12-8-11-20-13-14-17(24)21-19(27)23(18(14)25)15-9-6-7-10-16(15)26-3/h6-7,9-10,13,20H,4-5,8,11-12H2,1-3H3,(H,21,24,27)/b14-13+
InChIKey
KJNOUOUILSQMKQ-BUHFOSPRSA-N
Synonyms

(5E)5(((3(diethylamino)propyl)amino)methylidene)1(2methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((3(DIETHYLAMINO)PROPYLAMINO)METHYLIDENE)1(2METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CCN(CC)CCCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2OC
CCN(CCCNC=C1C(=O)N=C(N(C1=O)c1ccccc1OC)S)CC
InChI=1SC19H26N4O3Sc1422(52)1281120131417(24)2119(27)23(18(14)25)159671016(15)263h679101320H4581112H213H3(H212427)b1413+
MFCD04081077
ZINC000001863056
ZINC1863056

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Available files

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