Vitas-M small molecule compound

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

Catalog ID
STK200749
SMILES Brc1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)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 C35H26BrN3O2S MW 632.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26BrN3O2S/c1-22-13-16-29(19-23(22)2)39-34(41)30(33(40)37-35(39)42)20-26-21-31(24-9-5-3-6-10-24)38(28-17-14-27(36)15-18-28)32(26)25-11-7-4-8-12-25/h3-21H,1-2H3,(H,37,40,42)/b30-20+
InChIKey
TXNVCDCWNZCCCX-TWKHWXDSSA-N
Synonyms

(5E)5((1(4BROMOPHENYL)25DIPHENYL1HPYRROL3YL)METHYLIDENE)1(34DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4BROMOPHENYL)25DIPHENYLPYRROL3YL)METHYLIDENE)1(34DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
Brc1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)C
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Br)C6=CC=CC=C6)C(=O)NC2=S)C
InChI=1SC35H26BrN3O2Sc122131629(1923(22)2)3934(41)30(33(40)3735(39)42)20262131(2495361024)38(28171427(36)151828)32(26)25117481225h321H12H3(H374042)b3020+
MFCD02378843
ZINC000097961009
ZINC97961009

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Available files

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