Vitas-M small molecule compound

methyl 3-[(3,7-dibenzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate

Catalog ID
STK524332
SMILES COC(=O)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C3)Cc1ccccc1

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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 C27H27N3O3S2 MW 505.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S2/c1-33-23(31)13-15-34-27-28-25-24(26(32)30(27)17-20-10-6-3-7-11-20)21-12-14-29(18-22(21)35-25)16-19-8-4-2-5-9-19/h2-11H,12-18H2,1H3
InChIKey
QTIRXEXWWOWVCX-UHFFFAOYSA-N
Synonyms
372503-77-0
372503770
COC(=O)CCSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1CC5=CC=CC=C5
InChI=1SC27H27N3O3S2c13323(31)13153427282524(26(32)30(27)1720106371120)21121429(1822(21)3525)16198425919h211H1218H21H3
methyl3((37dibenzyl4oxo345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)sulfanyl)propanoate
methyl3((37dibenzyl4oxo345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)thio)propanoate
methyl3((37dibenzyl4oxo68dihydro5Hpyrido(23)thieno(24b)pyrimidin2yl)sulfanyl)propanoate
MFCD01897815
ZINC000020842001
ZINC20842001

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Available files

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