Vitas-M small molecule compound
ethyl {[4-oxo-3-(pyridin-4-ylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK437407
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccncc1)CCCC3
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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 C20H21N3O3S2 MW 415.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S2/c1-2-26-16(24)12-27-20-22-18-17(14-5-3-4-6-15(14)28-18)19(25)23(20)11-13-7-9-21-10-8-13/h7-10H,2-6,11-12H2,1H3InChIKey
JKFFLTRTXYHJMI-UHFFFAOYSA-NSynonyms
588712-03-2588712032
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC4=CC=NC=C4
ethyl((4oxo3(pyridin4ylmethyl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((4oxo3(pyridin4ylmethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
InChI=1SC20H21N3O3S2c122616(24)122720221817(14534615(14)2818)19(25)23(20)1113792110813h710H261112H21H3
MFCD03945025
ZINC000005947905
ZINC05947905
ZINC5947905
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