Vitas-M small molecule compound
3-(4-ethoxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK094735
SMILES CCOc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])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 C25H23N3O4S2 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S2/c1-2-32-19-13-11-17(12-14-19)27-24(29)22-20-5-3-4-6-21(20)34-23(22)26-25(27)33-15-16-7-9-18(10-8-16)28(30)31/h7-14H,2-6,15H2,1H3InChIKey
ZLXWSTFNUIPZAP-UHFFFAOYSA-NSynonyms
499125-42-73(4ethoxyphenyl)2((4nitrobenzyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(4ethoxyphenyl)2((4nitrobenzyl)thio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(4ethoxyphenyl)2((4nitrophenyl)methylsulfanyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
499125427
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)(N+)(=O)(O))SC5=C3CCCC5
CCOc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nc2c(c1=O)c1CCCCc1s2
InChI=1SC25H23N3O4S2c123219131117(121419)2724(29)2220534621(20)3423(22)2625(27)3315167918(10816)28(30)31h714H2615H21H3
MFCD03224545
STK094735
ZINC000001777702
ZINC01777702
ZINC1777702
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