Vitas-M small molecule compound

N-(4-methylbenzyl)-2-{[4-oxo-3-(thiophen-2-ylmethyl)-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

Catalog ID
STL085014
SMILES O=C(NCc1ccc(cc1)C)CSc1nc2c3ccccc3oc2c(=O)n1Cc1cccs1

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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 C25H21N3O3S2 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O3S2/c1-16-8-10-17(11-9-16)13-26-21(29)15-33-25-27-22-19-6-2-3-7-20(19)31-23(22)24(30)28(25)14-18-5-4-12-32-18/h2-12H,13-15H2,1H3,(H,26,29)
InChIKey
YJOFCTSTGPJXBP-UHFFFAOYSA-N
Synonyms
899941-84-5
899941845
CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CS4)OC5=CC=CC=C53
InChI=1SC25H21N3O3S2c11681017(11916)132621(29)153325272219623720(19)3123(22)24(30)28(25)141854123218h212H1315H21H3(H2629)
MFCD07650700
N((4methylphenyl)methyl)2((4oxo3(thiophen2ylmethyl)(1)benzofuro(32d)pyrimidin2yl)sulfanyl)acetamide
N(4methylbenzyl)2((4oxo3(thiophen2ylmethyl)34dihydro(1)benzofuro(32d)pyrimidin2yl)sulfanyl)acetamide
N(4METHYLBENZYL)2((4OXO3(THIOPHEN2YLMETHYL)34DIHYDROBENZOFURO(32D)PYRIMIDIN2YL)THIO)ACETAMIDE
ZINC000009750236
ZINC09750236
ZINC9750236

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Available files

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