Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-ethyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL051834
SMILES CCN1C(=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 C20H21N3O2S MW 367.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S/c1-5-22-19(25)17(18(24)21-20(22)26)11-15-10-13(3)23(14(15)4)16-8-6-12(2)7-9-16/h6-11H,5H2,1-4H3,(H,21,24,26)/b17-11-InChIKey
PRAKNMQWMGRIMB-BOPFTXTBSA-NSynonyms
639503-82-5(5Z)5((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)1ethyl2sulfanylpyrimidine46(1H5H)dione
(5Z)5((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)1ETHYL2SULFANYLIDENE13DIAZINANE46DIONE
639503825
CCN1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C1=O)S
CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C)C)C(=O)NC1=S
InChI=1SC20H21N3O2Sc152219(25)17(18(24)2120(22)26)11151013(3)23(14(15)4)168612(2)7916h611H5H214H3(H212426)b1711
MFCD05735714
ZINC000009487128
ZINC09487128
ZINC9487128
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