Vitas-M small molecule compound
3-phenyl-2-sulfanyl-3,5,6,8-tetrahydro-4H-spiro[1-benzothieno[2,3-d]pyrimidine-7,1'-cyclohexan]-4-one
Catalog ID
STK855111
SMILES Sc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC1(C3)CCCCC1
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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 C21H22N2OS2 MW 382.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2OS2/c24-19-17-15-9-12-21(10-5-2-6-11-21)13-16(15)26-18(17)22-20(25)23(19)14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,22,25)InChIKey
UFJSXIFPIHISBP-UHFFFAOYSA-NSynonyms
330180-51-3330180513
3phenyl2sulfanyl3568tetrahydro4Hspiro(1benzothieno(23d)pyrimidine71cyclohexan)4one
3phenyl2sulfanylidenespiro(1568tetrahydro(1)benzothiolo(23d)pyrimidine71cyclohexane)4one
C1CCC2(CC1)CCC3=C(C2)SC4=C3C(=O)N(C(=S)N4)C5=CC=CC=C5
InChI=1SC21H22N2OS2c2419171591221(105261121)1316(15)2618(17)2220(25)23(19)147314814h13478H256913H2(H2225)
MFCD08737040
ZINC000008769823
ZINC08769823
ZINC8769823
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