Vitas-M small molecule compound

(5Z)-1-butyl-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STL041462
SMILES CCCCN1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)F)C)/C1=O)S

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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 C21H22FN3O2S MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O2S/c1-4-5-10-24-20(27)18(19(26)23-21(24)28)12-15-11-13(2)25(14(15)3)17-8-6-16(22)7-9-17/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,26,28)/b18-12-
InChIKey
MIRFRYMDHWIWMO-PDGQHHTCSA-N
Synonyms
573708-71-1
(5Z)1butyl5((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1BUTYL5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
573708711
CCCCN1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)F)C)C1=O)S
CCCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)C(=O)NC1=S
InChI=1SC21H22FN3O2Sc145102420(27)18(19(26)2321(24)28)12151113(2)25(14(15)3)178616(22)7917h691112H4510H213H3(H232628)b1812
MFCD05733824
ZINC000009359761
ZINC09359761
ZINC9359761

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Available files

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