Vitas-M small molecule compound

1,3-dimethyl-5-nitro-6-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyrimidine-2,4(1H,3H)-dione

Catalog ID
STK078397
SMILES COc1ccc(c(c1OC)OC)/C=C/c1n(C)c(=O)n(c(=O)c1[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 C17H19N3O7 MW 377.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O7/c1-18-11(13(20(23)24)16(21)19(2)17(18)22)8-6-10-7-9-12(25-3)15(27-5)14(10)26-4/h6-9H,1-5H3/b8-6+
InChIKey
QBCYTXJGIYVNER-SOFGYWHQSA-N
Synonyms

13DIMETHYL5NITRO6((E)2(234TRIMETHOXYPHENYL)ETHENYL)PYRIMIDINE24(1H3H)DIONE
13DIMETHYL5NITRO6((E)2(234TRIMETHOXYPHENYL)ETHENYL)PYRIMIDINE24DIONE
13DIMETHYL5NITRO6(2(234TRIMETHOXYPHENYL)VINYL)24(1H3H)PYRIMIDINEDIONE
CN1C(=C(C(=O)N(C1=O)C)(N+)(=O)(O))C=CC2=C(C(=C(C=C2)OC)OC)OC
COc1ccc(c(c1OC)OC)C=Cc1n(C)c(=O)n(c(=O)c1(N+)(=O)(O))C
InChI=1SC17H19N3O7c11811(13(20(23)24)16(21)19(2)17(18)22)86107912(253)15(275)14(10)264h69H15H3b86+
MFCD02923229
STK078397
ZINC000004670432
ZINC04670432
ZINC4670432

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Available files

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