Vitas-M small molecule compound
3-(2-ethylphenyl)-2-sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK439773
SMILES CCc1ccccc1n1c(S)nc2c(c1=O)c1CCCCCCc1s2
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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 C20H22N2OS2 MW 370.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2OS2/c1-2-13-9-7-8-11-15(13)22-19(23)17-14-10-5-3-4-6-12-16(14)25-18(17)21-20(22)24/h7-9,11H,2-6,10,12H2,1H3,(H,21,24)InChIKey
HTBKHWGNMWSBSR-UHFFFAOYSA-NSynonyms
3(2ethylphenyl)2sulfanyl5678910hexahydrocycloocta(45)thieno(23d)pyrimidin4(3H)one
3(2ethylphenyl)2sulfanylidene5678910hexahydro1Hcycloocta(23)thieno(24b)pyrimidin4one
CCC1=CC=CC=C1N2C(=O)C3=C(NC2=S)SC4=C3CCCCCC4
InChI=1SC20H22N2OS2c12139781115(13)2219(23)17141053461216(14)2518(17)2120(22)24h7911H261012H21H3(H2124)
MFCD03945966
ZINC000017076000
ZINC17076000
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