Vitas-M small molecule compound
7-tert-butyl-2-(2-ethoxynaphthalen-1-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK382480
SMILES CCOc1ccc2c(c1C1NC(=O)c3c(N1)sc1c3CCC(C1)C(C)(C)C)cccc2
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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 C26H30N2O2S MW 434.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O2S/c1-5-30-19-13-10-15-8-6-7-9-17(15)21(19)23-27-24(29)22-18-12-11-16(26(2,3)4)14-20(18)31-25(22)28-23/h6-10,13,16,23,28H,5,11-12,14H2,1-4H3,(H,27,29)InChIKey
JABBVOCCRBNMAF-UHFFFAOYSA-NSynonyms
7tertbutyl2(2ethoxynaphthalen1yl)235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
7tertbutyl2(2ethoxynaphthalen1yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C2=CC=CC=C2C=C1)C3NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)N3
InChI=1SC26H30N2O2Sc153019131015867917(15)21(19)232724(29)2218121116(26(23)4)1420(18)3125(22)2823h61013162328H5111214H214H3(H2729)
MFCD02916190
ZINC000017085908
ZINC000017085911
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