Vitas-M small molecule compound

(5E)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STK585905
SMILES COCCn1c(C)cc(c1C)/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1)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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-13-11-15(14(2)22(13)9-10-26-3)12-17-18(24)21-20(27)23(19(17)25)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,21,24,27)/b17-12+
InChIKey
GVUVCXVCFPFFEE-SFQUDFHCSA-N
Synonyms
371118-30-8
(5E)5((1(2methoxyethyl)25dimethyl1Hpyrrol3yl)methylidene)1phenyl2sulfanylpyrimidine46(1H5H)dione
(5E)5((1(2METHOXYETHYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1CCOC)C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3
COCCn1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)c1ccccc1)S
InChI=1SC20H21N3O3Sc1131115(14(2)22(13)910263)121718(24)2120(27)23(19(17)25)167546816h481112H910H213H3(H212427)b1712+
MFCD07199516
ZINC000009108870
ZINC9108870

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Available files

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