Vitas-M small molecule compound
3-(2,4-dimethoxyphenyl)-2-sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK438999
SMILES COc1ccc(c(c1)OC)n1c(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 C20H22N2O3S2 MW 402.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S2/c1-24-12-9-10-14(15(11-12)25-2)22-19(23)17-13-7-5-3-4-6-8-16(13)27-18(17)21-20(22)26/h9-11H,3-8H2,1-2H3,(H,21,26)InChIKey
YTURCSYGSKQOMI-UHFFFAOYSA-NSynonyms
3(24dimethoxyphenyl)2sulfanyl5678910hexahydrocycloocta(45)thieno(23d)pyrimidin4(3H)one
3(24dimethoxyphenyl)2sulfanylidene5678910hexahydro1Hcycloocta(23)thieno(24b)pyrimidin4one
COC1=CC(=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCCCC4)OC
InChI=1SC20H22N2O3S2c1241291014(15(1112)252)2219(23)171375346816(13)2718(17)2120(22)26h911H38H212H3(H2126)
MFCD03945864
ZINC000006294820
ZINC06294820
ZINC6294820
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