Vitas-M small molecule compound

2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Catalog ID
STL016754
SMILES CCCCCCCCOc1ccc(cc1)C1NC(=O)C(=C(N1c1ccccc1)S)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 C25H29N3O2S MW 435.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O2S/c1-2-3-4-5-6-10-17-30-21-15-13-19(14-16-21)23-27-24(29)22(18-26)25(31)28(23)20-11-8-7-9-12-20/h7-9,11-16,23,31H,2-6,10,17H2,1H3,(H,27,29)
InChIKey
HIPIVHZRWYDTPE-UHFFFAOYSA-N
Synonyms
501349-50-4
2(4(octyloxy)phenyl)4oxo1phenyl6sulfanyl1234tetrahydropyrimidine5carbonitrile
2(4OCTOXYPHENYL)6OXO3PHENYL4SULFANYL12DIHYDROPYRIMIDINE5CARBONITRILE
2(4OCTYLOXYPHENYL)6OXO3PHENYL4SULFANYL123TRIHYDROPYRIMIDINE5CARBONITRILE
501349504
CCCCCCCCOC1=CC=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N
InChI=1SC25H29N3O2Sc12345610173021151319(141621)232724(29)22(1826)25(31)28(23)20118791220h7911162331H261017H21H3(H2729)
MFCD03620396
ZINC000001803646
ZINC000001803648

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Available files

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