Vitas-M small molecule compound
3-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK804891
SMILES [O-][N+](=O)c1cc2OCOc2cc1/C=N/n1cnc2c(c1=O)c1CCCCc1s2
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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 C18H14N4O5S MW 398.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O5S/c23-18-16-11-3-1-2-4-15(11)28-17(16)19-8-21(18)20-7-10-5-13-14(27-9-26-13)6-12(10)22(24)25/h5-8H,1-4,9H2/b20-7+InChIKey
LSQCIFVIGULTLZ-IFRROFPPSA-NSynonyms
357175-82-7(E)3(((6nitrobenzo(d)(13)dioxol5yl)methylene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
(O)(N+)(=O)c1cc2OCOc2cc1C=Nn1cnc2c(c1=O)c1CCCCc1s2
3(((E)(6nitro13benzodioxol5yl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(6nitro13benzodioxol5yl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
357175827
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC5=C(C=C4(N+)(=O)(O))OCO5
InChI=1SC18H14N4O5Sc23181611312415(11)2817(16)19821(18)2071051314(2792613)612(10)22(24)25h58H149H2b207+
MFCD01133394
ZINC000004866731
ZINC33319982
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