Vitas-M small molecule compound

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

Catalog ID
STL052116
SMILES CCCCN1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)C)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 C22H25N3O2S MW 395.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O2S/c1-5-6-11-24-21(27)19(20(26)23-22(24)28)13-17-12-15(3)25(16(17)4)18-9-7-14(2)8-10-18/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,26,28)/b19-13-
InChIKey
AEEMGKRZJKZPGD-UYRXBGFRSA-N
Synonyms
578000-49-4
(5Z)1butyl5((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1BUTYL5((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
578000494
CCCCN1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C1=O)S
CCCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C)C)C(=O)NC1=S
InChI=1SC22H25N3O2Sc156112421(27)19(20(26)2322(24)28)13171215(3)25(16(17)4)189714(2)81018h7101213H5611H214H3(H232628)b1913
MFCD05738020
ZINC000009009464
ZINC09009464
ZINC9009464

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Available files

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