Vitas-M small molecule compound

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

Catalog ID
STK192997
SMILES Brc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cccnc2)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 C22H17BrN4O2S MW 481.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4O2S/c1-13-9-15(14(2)26(13)18-7-4-8-24-12-18)10-19-20(28)25-22(30)27(21(19)29)17-6-3-5-16(23)11-17/h3-12H,1-2H3,(H,25,28,30)/b19-10+
InChIKey
UDKLCDPQEKSSHM-VXLYETTFSA-N
Synonyms

(5E)1(3BROMOPHENYL)5((25DIMETHYL1(PYRIDIN3YL)1HPYRROL3YL)METHYLIDENE)2SULFANYLPYRIMIDINE46(1H5H)DIONE
(5E)1(3BROMOPHENYL)5((25DIMETHYL1(PYRIDIN3YL)1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(3BROMOPHENYL)5((25DIMETHYL1PYRIDIN3YLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(E)1(3bromophenyl)5((25dimethyl1(pyridin3yl)1Hpyrrol3yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
1(3BROMOPHENYL)5((25DIMETHYL1(3PYRIDINYL)1HPYRROL3YL)METHYLENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
Brc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cccnc2)C)C1=O
CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br
InChI=1SC22H17BrN4O2Sc113915(14(2)26(13)18748241218)101920(28)2522(30)27(21(19)29)1763516(23)1117h312H12H3(H252830)b1910+
MFCD02325204
ZINC8743505

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Available files

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