Vitas-M small molecule compound

(5Z)-1-(2-fluorophenyl)-2-thioxo-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK192992
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1cc(n(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1F

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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 C33H22FN3O2S MW 543.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H22FN3O2S/c34-27-18-10-11-19-28(27)37-32(39)26(31(38)35-33(37)40)20-24-21-29(22-12-4-1-5-13-22)36(25-16-8-3-9-17-25)30(24)23-14-6-2-7-15-23/h1-21H,(H,35,38,40)/b26-20-
InChIKey
HDOMZFORNGJUSX-QOMWVZHYSA-N
Synonyms

(5Z)1(2fluorophenyl)2sulfanylidene5((125triphenylpyrrol3yl)methylidene)13diazinane46dione
(5Z)1(2FLUOROPHENYL)2THIOXO5((125TRIPHENYL1HPYRROL3YL)METHYLIDENE)DIHYDROPYRIMIDINE46(1H5H)DIONE
C1=CC=C(C=C1)C2=CC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C=C5C(=O)NC(=S)N(C5=O)C6=CC=CC=C6F
InChI=1SC33H22FN3O2Sc34271810111928(27)3732(39)26(31(38)3533(37)40)20242129(22124151322)36(25168391725)30(24)23146271523h121H(H353840)b2620
MFCD02379243
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1F
ZINC000003671810
ZINC3671810

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Available files

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