Vitas-M small molecule compound
3-[4-(propan-2-yl)phenyl]-2-sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK439664
SMILES CC(c1ccc(cc1)n1c(S)nc2c(c1=O)c1CCCCCCc1s2)C
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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 C21H24N2OS2 MW 384.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2OS2/c1-13(2)14-9-11-15(12-10-14)23-20(24)18-16-7-5-3-4-6-8-17(16)26-19(18)22-21(23)25/h9-13H,3-8H2,1-2H3,(H,22,25)InChIKey
DQHNSRXEPOPJQK-UHFFFAOYSA-NSynonyms
3(4(propan2yl)phenyl)2sulfanyl5678910hexahydrocycloocta(45)thieno(23d)pyrimidin4(3H)one
3(4propan2ylphenyl)2sulfanylidene5678910hexahydro1Hcycloocta(23)thieno(24b)pyrimidin4one
CC(C)C1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCCCC4
InChI=1SC21H24N2OS2c113(2)1491115(121014)2320(24)181675346817(16)2619(18)2221(23)25h913H38H212H3(H2225)
MFCD03945917
ZINC000017078610
ZINC17078610
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