Vitas-M small molecule compound
2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 3-nitrobenzoate
Catalog ID
STK057924
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])c1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C25H21N3O6S MW 491.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6S/c1-2-33-19-13-14(10-11-18(19)34-25(30)15-6-5-7-16(12-15)28(31)32)22-26-23(29)21-17-8-3-4-9-20(17)35-24(21)27-22/h5-7,10-13H,2-4,8-9H2,1H3,(H,26,27,29)InChIKey
LZEXXFXEKRYAQJ-UHFFFAOYSA-NSynonyms
(2ethoxy4(4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)phenyl)3nitrobenzoate
2ethoxy4(4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl3nitrobenzoate
CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OC(=O)C5=CC(=CC=C5)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC25H21N3O6Sc1233191314(101118(19)3425(30)1565716(1215)28(31)32)222623(29)2117834920(17)3524(21)2722h571013H2489H21H3(H262729)
MFCD03135615
STK057924
ZINC000002984330
ZINC02984330
ZINC2984330
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