Vitas-M small molecule compound
4-({[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STK593699
SMILES CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C#N)nc2c(c1=O)c1CCCCc1s2
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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 C26H23N3O2S2 MW 473.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O2S2/c1-2-31-20-13-11-19(12-14-20)29-25(30)23-21-5-3-4-6-22(21)33-24(23)28-26(29)32-16-18-9-7-17(15-27)8-10-18/h7-14H,2-6,16H2,1H3InChIKey
SVJKZMKEDRPHCI-UHFFFAOYSA-NSynonyms
578698-19-84(((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)methyl)benzonitrile
4(((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)methyl)benzonitrile
4((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanylmethyl)benzonitrile
578698198
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)C#N)SC5=C3CCCC5
InChI=1SC26H23N3O2S2c123120131119(121420)2925(30)2321534622(21)3324(23)2826(29)3216189717(1527)81018h714H2616H21H3
MFCD03474433
ZINC000002386319
ZINC02386319
ZINC2386319
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