Vitas-M small molecule compound

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

Catalog ID
STL418993
SMILES O=C1/C(=C/c2cc(n(c2C)c2cccnc2)C)/C(=O)N(C(=S)N1c1ccccc1)c1ccccc1

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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 C28H22N4O2S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O2S/c1-19-16-21(20(2)30(19)24-14-9-15-29-18-24)17-25-26(33)31(22-10-5-3-6-11-22)28(35)32(27(25)34)23-12-7-4-8-13-23/h3-18H,1-2H3
InChIKey
OEMQFZCCNDTXAZ-UHFFFAOYSA-N
Synonyms

5((25DIMETHYL1(PYRIDIN3YL)1HPYRROL3YL)METHYLENE)13DIPHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((25dimethyl1(pyridin3yl)1Hpyrrol3yl)methylidene)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
5((25DIMETHYL1PYRIDIN3YLPYRROL3YL)METHYLIDENE)13DIPHENYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC28H22N4O2Sc1191621(20(2)30(19)2414915291824)172526(33)31(22105361122)28(35)32(27(25)34)23127481323h318H12H3
MFCD04084090
O=C1C(=Cc2cc(n(c2C)c2cccnc2)C)C(=O)N(C(=S)N1c1ccccc1)c1ccccc1
ZINC000001407208
ZINC01407208
ZINC1407208

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Available files

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