Vitas-M small molecule compound
2-[3-(3,4-dimethylbenzyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(4-phenylbutan-2-yl)acetamide
Catalog ID
STL030556
SMILES CC(NC(=O)Cn1c(=O)n(Cc2ccc(c(c2)C)C)c(=O)c2c1ccs2)CCc1ccccc1
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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 C27H29N3O3S MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S/c1-18-9-11-22(15-19(18)2)16-30-26(32)25-23(13-14-34-25)29(27(30)33)17-24(31)28-20(3)10-12-21-7-5-4-6-8-21/h4-9,11,13-15,20H,10,12,16-17H2,1-3H3,(H,28,31)InChIKey
NYCDTZOECRMZTD-UHFFFAOYSA-NSynonyms
2(3((34dimethylphenyl)methyl)24dioxothieno(32d)pyrimidin1yl)N(4phenylbutan2yl)acetamide
2(3(34dimethylbenzyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)N(4phenylbutan2yl)acetamide
CC1=C(C=C(C=C1)CN2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC(C)CCC4=CC=CC=C4)C
InChI=1SC27H29N3O3Sc11891122(1519(18)2)163026(32)2523(13143425)29(27(30)33)1724(31)2820(3)1012217546821h4911131520H10121617H213H3(H2831)
MFCD18190744
ZINC000057427029
ZINC000057427032
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