Vitas-M small molecule compound

5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK191551
SMILES CN1C(=S)N(C)C(=O)C(=Cc2cc(n(c2C)c2ccncc2)C)C1=O

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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 C18H18N4O2S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O2S/c1-11-9-13(12(2)22(11)14-5-7-19-8-6-14)10-15-16(23)20(3)18(25)21(4)17(15)24/h5-10H,1-4H3
InChIKey
XCEWNDQUGDHZOM-UHFFFAOYSA-N
Synonyms
593273-11-1
5((25dimethyl1(pyridin4yl)1Hpyrrol3yl)methylene)13dimethyl2thioxodihydropyrimidine46(1H5H)dione
5((25DIMETHYL1(PYRIDIN4YL)1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((25DIMETHYL1PYRIDIN4YL1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((25DIMETHYL1PYRIDIN4YLPYRROL3YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5(25DIMETHYL1PYRIDIN4YL1HPYRROL3YLMETHYLENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46DIONE
593273111
CC1=CC(=C(N1C2=CC=NC=C2)C)C=C3C(=O)N(C(=S)N(C3=O)C)C
InChI=1SC18H18N4O2Sc111913(12(2)22(11)1457198614)101516(23)20(3)18(25)21(4)17(15)24h510H14H3
MFCD03923266
ZINC000002378613
ZINC02378613
ZINC2378613

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.