Vitas-M small molecule compound

3-phenyl-2-(prop-2-en-1-ylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK831079
SMILES C=CCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCCC3

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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 C20H20N2OS2 MW 368.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2OS2/c1-2-13-24-20-21-18-17(15-11-7-4-8-12-16(15)25-18)19(23)22(20)14-9-5-3-6-10-14/h2-3,5-6,9-10H,1,4,7-8,11-13H2
InChIKey
TXDMXLQJXPHCMA-UHFFFAOYSA-N
Synonyms
351159-75-6
2(allylthio)3phenyl6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
351159756
3phenyl2(prop2en1ylsulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3phenyl2prop2enylsulfanyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
C=CCSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=CC=C4
InChI=1SC20H20N2OS2c12132420211817(15117481216(15)2518)19(23)22(20)1495361014h2356910H14781113H2
MFCD01877682
ZINC000002066419
ZINC02066419
ZINC2066419

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Available files

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