Vitas-M small molecule compound
ethyl 1-{[3-(3-methylbutyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetyl}piperidine-4-carboxylate
Catalog ID
STL030249
SMILES CCOC(=O)C1CCN(CC1)C(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2c1ccs2
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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 C21H29N3O5S MW 435.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O5S/c1-4-29-20(27)15-6-9-22(10-7-15)17(25)13-24-16-8-12-30-18(16)19(26)23(21(24)28)11-5-14(2)3/h8,12,14-15H,4-7,9-11,13H2,1-3H3InChIKey
MMBWLSHPHNSRRM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCN(CC1)C(=O)CN2C3=C(C(=O)N(C2=O)CCC(C)C)SC=C3
ethyl1((3(3methylbutyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)piperidine4carboxylate
ethyl1(2(3(3methylbutyl)24dioxothieno(32d)pyrimidin1yl)acetyl)piperidine4carboxylate
InChI=1SC21H29N3O5Sc142920(27)156922(10715)17(25)1324168123018(16)19(26)23(21(24)28)11514(2)3h8121415H4791113H213H3
MFCD18190437
ZINC000057426682
ZINC57426682
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