Vitas-M small molecule compound
4-({[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STL338658
SMILES Brc1ccc(cc1)n1c(SCc2ccc(cc2)C(=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 C24H19BrN2O3S2 MW 527.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19BrN2O3S2/c25-16-9-11-17(12-10-16)27-22(28)20-18-3-1-2-4-19(18)32-21(20)26-24(27)31-13-14-5-7-15(8-6-14)23(29)30/h5-12H,1-4,13H2,(H,29,30)InChIKey
UQQHQULSSSOPMU-UHFFFAOYSA-NSynonyms
678554-42-24(((3(4bromophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)methyl)benzoicacid
4(((3(4bromophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)methyl)benzoicacid
4((3(4bromophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanylmethyl)benzoicacid
678554422
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Br)SCC5=CC=C(C=C5)C(=O)O
InChI=1SC24H19BrN2O3S2c251691117(121016)2722(28)2018312419(18)3221(20)2624(27)3113145715(8614)23(29)30h512H1413H2(H2930)
MFCD03473584
ZINC000002259596
ZINC2259596
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