Vitas-M small molecule compound
4-(5,6-dimethyl-4-oxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-2-yl)-2-ethoxyphenyl 4-nitrobenzoate
Catalog ID
STK378452
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])C1NC(=O)c2c(N1)sc(c2C)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 C23H21N3O6S MW 467.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O6S/c1-4-31-18-11-15(20-24-21(27)19-12(2)13(3)33-22(19)25-20)7-10-17(18)32-23(28)14-5-8-16(9-6-14)26(29)30/h5-11,20,25H,4H2,1-3H3,(H,24,27)InChIKey
CICBKSRSKNDEKT-UHFFFAOYSA-NSynonyms
(4(56DIMETHYL4OXO23DIHYDRO1HTHIENO(23D)PYRIMIDIN2YL)2ETHOXYPHENYL)4NITROBENZOATE
4(56DIMETHYL4OXO(123TRIHYDROTHIOPHENO(23D)PYRIMIDIN2YL))2ETHOXYPHENYL4NITROBENZOATE
4(56dimethyl4oxo1234tetrahydrothieno(23d)pyrimidin2yl)2ethoxyphenyl4nitrobenzoate
CCOC1=C(C=CC(=C1)C2NC3=C(C(=C(S3)C)C)C(=O)N2)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O))C1NC(=O)c2c(N1)sc(c2C)C
InChI=1SC23H21N3O6Sc1431181115(202421(27)1912(2)13(3)3322(19)2520)71017(18)3223(28)145816(9614)26(29)30h5112025H4H213H3(H2427)
MFCD02914395
ZINC000008842984
ZINC000016157458
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