Vitas-M small molecule compound
5-(benzylsulfanyl)-9-(3,4-dimethoxyphenyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
Catalog ID
STL228288
SMILES COc1cc(ccc1OC)c1csc2c1c(=O)n1c(n2)c2ccccc2c(n1)SCc1ccccc1
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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 C28H21N3O3S2 MW 511.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O3S2/c1-33-22-13-12-18(14-23(22)34-2)21-16-36-27-24(21)28(32)31-25(29-27)19-10-6-7-11-20(19)26(30-31)35-15-17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3InChIKey
KQIGOBPBTOLMGO-UHFFFAOYSA-NSynonyms
5(benzylsulfanyl)9(34dimethoxyphenyl)8Hthieno(2345)pyrimido(21a)phthalazin8one
COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N4C(=N3)C5=CC=CC=C5C(=N4)SCC6=CC=CC=C6)OC
InChI=1SC28H21N3O3S2c13322131218(1423(22)342)2116362724(21)28(32)3125(2927)1910671120(19)26(3031)3515178435917h31416H15H212H3
MFCD03651421
ZINC000003267711
ZINC03267711
ZINC3267711
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