Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK005576
SMILES COc1ccc(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 C24H21N3O4S2 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4S2/c1-31-18-12-10-16(11-13-18)26-23(28)21-19-4-2-3-5-20(19)33-22(21)25-24(26)32-14-15-6-8-17(9-7-15)27(29)30/h6-13H,2-5,14H2,1H3InChIKey
NOSARAPDTTWNTC-UHFFFAOYSA-NSynonyms
477331-59-23(4methoxyphenyl)2((4nitrobenzyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(4methoxyphenyl)2((4nitrobenzyl)thio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(4methoxyphenyl)2((4nitrophenyl)methylsulfanyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
477331592
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)(N+)(=O)(O))SC5=C3CCCC5
COc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nc2c(c1=O)c1CCCCc1s2
InChI=1SC24H21N3O4S2c13118121016(111318)2623(28)2119423520(19)3322(21)2524(26)3214156817(9715)27(29)30h613H2514H21H3
MFCD03223529
STK005576
ZINC000001821973
ZINC01821973
ZINC1821973
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