Vitas-M small molecule compound
3-[(3-benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methoxybenzyl)propanamide
Catalog ID
STK094832
SMILES COc1ccc(cc1)CNC(=O)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3
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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 C28H29N3O3S2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S2/c1-34-21-13-11-19(12-14-21)17-29-24(32)15-16-35-28-30-26-25(22-9-5-6-10-23(22)36-26)27(33)31(28)18-20-7-3-2-4-8-20/h2-4,7-8,11-14H,5-6,9-10,15-18H2,1H3,(H,29,32)InChIKey
RTFKGAKMRABTBA-UHFFFAOYSA-NSynonyms
371200-44-13((3benzyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4methoxybenzyl)propanamide
3((3benzyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4methoxybenzyl)propanamide
3((3benzyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N((4methoxyphenyl)methyl)propanamide
371200441
COC1=CC=C(C=C1)CNC(=O)CCSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CC=C5
COc1ccc(cc1)CNC(=O)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3
InChI=1SC28H29N3O3S2c13421131119(121421)172924(32)15163528302625(229561023(22)3626)27(33)31(28)18207324820h24781114H569101518H21H3(H2932)
MFCD01564282
STK094832
ZINC000009034166
ZINC09034166
ZINC9034166
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