Vitas-M small molecule compound
2-[(naphthalen-1-ylmethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK401099
SMILES O=c1[nH]c(SCc2cccc3c2cccc3)nc2c1c1CCCCc1s2
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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 C21H18N2OS2 MW 378.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2OS2/c24-19-18-16-10-3-4-11-17(16)26-20(18)23-21(22-19)25-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9H,3-4,10-12H2,(H,22,23,24)InChIKey
COAVHUJYSMLZEZ-UHFFFAOYSA-NSynonyms
2((naphthalen1ylmethyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(naphthalen1ylmethylsulfanyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC4=CC=CC5=CC=CC=C54
InChI=1SC21H18N2OS2c2419181610341117(16)2620(18)2321(2219)25121485713612915(13)14h1259H341012H2(H222324)
MFCD05342241
O=c1(nH)c(SCc2cccc3c2cccc3)nc2c1c1CCCCc1s2
ZINC000005237642
ZINC05237642
ZINC5237642
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