Vitas-M small molecule compound

{1-[2-(dimethylamino)ethyl]-2,4-dioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl}acetic acid

Catalog ID
STK601014
SMILES CN(CCn1c(=O)n(CC(=O)O)c(=O)c2c1sc1c2CCCC1)C

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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 C16H21N3O4S MW 351.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O4S/c1-17(2)7-8-18-15-13(10-5-3-4-6-11(10)24-15)14(22)19(16(18)23)9-12(20)21/h3-9H2,1-2H3,(H,20,21)
InChIKey
JESRXGRUTONLEM-UHFFFAOYSA-N
Synonyms
903861-63-2
(1(2(dimethylamino)ethyl)24dioxo145678hexahydro(1)benzothieno(23d)pyrimidin3(2H)yl)aceticacid
2(1(2(dimethylamino)ethyl)24dioxo125678hexahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)aceticacid
2(1(2(dimethylamino)ethyl)24dioxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)aceticacid
903861632
CN(C)CCN1C2=C(C3=C(S2)CCCC3)C(=O)N(C1=O)CC(=O)O
InChI=1SC16H21N3O4Sc117(2)78181513(10534611(10)2415)14(22)19(16(18)23)912(20)21h39H212H3(H2021)
MFCD08288910
ZINC000006756558
ZINC06756558
ZINC6756558

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Available files

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