Vitas-M small molecule compound

ethyl 3,5-dimethyl-1-(4-nitrobenzyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate

Catalog ID
STK629885
SMILES CCOC(=O)c1sc2c(c1C)c(=O)n(c(=O)n2Cc1ccc(cc1)[N+](=O)[O-])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 C18H17N3O6S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6S/c1-4-27-17(23)14-10(2)13-15(22)19(3)18(24)20(16(13)28-14)9-11-5-7-12(8-6-11)21(25)26/h5-8H,4,9H2,1-3H3
InChIKey
LCKZLLAWAWIKHV-UHFFFAOYSA-N
Synonyms
920473-15-0
920473150
CCOC(=O)C1=C(C2=C(S1)N(C(=O)N(C2=O)C)CC3=CC=C(C=C3)(N+)(=O)(O))C
CCOC(=O)c1sc2c(c1C)c(=O)n(c(=O)n2Cc1ccc(cc1)(N+)(=O)(O))C
ethyl35dimethyl1((4nitrophenyl)methyl)24dioxothieno(23d)pyrimidine6carboxylate
ethyl35dimethyl1(4nitrobenzyl)24dioxo1234tetrahydrothieno(23d)pyrimidine6carboxylate
InChI=1SC18H17N3O6Sc142717(23)1410(2)1315(22)19(3)18(24)20(16(13)2814)9115712(8611)21(25)26h58H49H213H3
MFCD08745080
ZINC000009183652
ZINC09183652
ZINC9183652

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Available files

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