Vitas-M small molecule compound

4-[bis(1,3-dimethyl-4,6-dioxo-2-thioxohexahydropyrimidin-5-yl)methyl]benzonitrile

Catalog ID
STK201644
SMILES CN1C(=O)C(C(=O)N(C1=S)C)C(C1C(=O)N(C)C(=S)N(C1=O)C)c1ccc(cc1)C#N

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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 C20H19N5O4S2 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S2/c1-22-15(26)13(16(27)23(2)19(22)30)12(11-7-5-10(9-21)6-8-11)14-17(28)24(3)20(31)25(4)18(14)29/h5-8,12-14H,1-4H3
InChIKey
CHPOTKFRPBAZGZ-UHFFFAOYSA-N
Synonyms

4(bis(13dimethyl46dioxo2sulfanylidene13diazinan5yl)methyl)benzonitrile
4(BIS(13DIMETHYL46DIOXO2THIOXOHEXAHYDROPYRIMIDIN5YL)METHYL)BENZONITRILE
CN1C(=O)C(C(=O)N(C1=S)C)C(C2C(=O)N(C(=S)N(C2=O)C)C)C3=CC=C(C=C3)C#N
InChI=1SC20H19N5O4S2c12215(26)13(16(27)23(2)19(22)30)12(117510(921)6811)1417(28)24(3)20(31)25(4)18(14)29h581214H14H3
MFCD06666640
ZINC000009944291
ZINC09944291
ZINC9944291

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Available files

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