Vitas-M small molecule compound
3-benzyl-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK438771
SMILES Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)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 C18H18N2OS2 MW 342.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2OS2/c21-17-15-13-9-5-2-6-10-14(13)23-16(15)19-18(22)20(17)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,22)InChIKey
HBAIXEBNGLFMGN-UHFFFAOYSA-NSynonyms
59898-70-33benzyl2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3benzyl2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
C1CCC2=C(CC1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4
InChI=1SC18H18N2OS2c2117151395261014(13)2316(15)1918(22)20(17)11127314812h13478H256911H2(H1922)
MFCD03811480
ZINC000001248416
ZINC01248416
ZINC1248416
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