Vitas-M small molecule compound

1-methylbicyclo[2.2.0]hex-2-yl {[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetate - propane (1:1)

Catalog ID
STK232493
SMILES C=CCn1c(N)cc(=O)nc1SCC(=O)OC1CC2C1(C)CC2.CCC

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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 C19H29N3O3S MW 379.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O3S.C3H8/c1-3-6-19-12(17)8-13(20)18-15(19)23-9-14(21)22-11-7-10-4-5-16(10,11)2;1-3-2/h3,8,10-11H,1,4-7,9,17H2,2H3;3H2,1-2H3
InChIKey
UZABJPMFGLYYPA-UHFFFAOYSA-N
Synonyms
(4methyl3bicyclo(220)hexanyl)2(6amino4oxo1prop2enylpyrimidin2yl)sulfanylacetatepropane
1METHYLBICYCLO(220)HEX2YL((6AMINO4OXO1(PROP2EN1YL)14DIHYDROPYRIMIDIN2YL)SULFANYL)ACETATEPROPANE(11)
C=CCn1c(N)cc(=O)nc1SCC(=O)OC1CC2C1(C)CC2CCC
CCCCC12CCC1CC2OC(=O)CSC3=NC(=O)C=C(N3CC=C)N
Registry IDs
MFCD06630263
ZINC000102954834
ZINC000226499702

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.