Vitas-M small molecule compound

(5E)-5-({[4-(diethylammonio)phenyl]amino}methylidene)-4,6-dioxo-1-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidine-2-thiolate

Catalog ID
STL051492
SMILES CC[NH+](c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)c1cc(OC)c(c(c1)OC)OC)[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 C24H28N4O5S MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O5S/c1-6-27(7-2)16-10-8-15(9-11-16)25-14-18-22(29)26-24(34)28(23(18)30)17-12-19(31-3)21(33-5)20(13-17)32-4/h8-14,25H,6-7H2,1-5H3,(H,26,29,34)/b18-14+
InChIKey
UCVDTCLEXQYAMI-NBVRZTHBSA-N
Synonyms

(5E)5(((4(diethylammonio)phenyl)amino)methylidene)46dioxo1(345trimethoxyphenyl)1456tetrahydropyrimidine2thiolate
(5E)5((4(DIETHYLAMINO)ANILINO)METHYLIDENE)2SULFANYLIDENE1(345TRIMETHOXYPHENYL)13DIAZINANE46DIONE
(5E)5((4(DIETHYLAZANIUMYL)ANILINO)METHYLIDENE)6OXO2SULFANYLIDENE1(345TRIMETHOXYPHENYL)PYRIMIDIN4OLATE
CC(NH+)(c1ccc(cc1)NC=C1C(=O)N=C(N(C1=O)c1cc(OC)c(c(c1)OC)OC)(S))CC
CC(NH+)(CC)C1=CC=C(C=C1)NC=C2C(=NC(=S)N(C2=O)C3=CC(=C(C(=C3)OC)OC)OC)(O)
InChI=1SC24H28N4O5Sc1627(72)1610815(91116)25141822(29)2624(34)28(23(18)30)171219(313)21(335)20(1317)324h81425H67H215H3(H262934)b1814+
MFCD18249402
ZINC000013172076
ZINC13172076

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Available files

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