Vitas-M small molecule compound

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

Catalog ID
STK187471
SMILES Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cc(Cl)ccc2C)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 C24H19ClFN3O2S MW 467.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClFN3O2S/c1-13-4-5-17(25)12-21(13)28-14(2)10-16(15(28)3)11-20-22(30)27-24(32)29(23(20)31)19-8-6-18(26)7-9-19/h4-12H,1-3H3,(H,27,30,32)/b20-11+
InChIKey
RYYFWEPYORGYOH-RGVLZGJSSA-N
Synonyms

(5E)5((1(5CHLORO2METHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(5CHLORO2METHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=C(C=C(C=C1)Cl)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F)C
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cc(Cl)ccc2C)C)C1=O
InChI=1SC24H19ClFN3O2Sc1134517(25)1221(13)2814(2)1016(15(28)3)112022(30)2724(32)29(23(20)31)198618(26)7919h412H13H3(H273032)b2011+
MFCD06666041
ZINC000001150794
ZINC01150794
ZINC1150794

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Available files

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