Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191657
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2cccc3c2cccc3)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 C24H21N3O2S MW 415.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O2S/c1-4-12-26-23(29)20(22(28)25-24(26)30)14-18-13-15(2)27(16(18)3)21-11-7-9-17-8-5-6-10-19(17)21/h4-11,13-14H,1,12H2,2-3H3,(H,25,28,30)/b20-14-InChIKey
QHPVSNCJYFPHAD-ZHZULCJRSA-NSynonyms
347395-59-9(5Z)5((25DIMETHYL1(NAPHTHALEN1YL)1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((25DIMETHYL1NAPHTHALEN1YLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
347395599
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cccc3c2cccc3)C)C1=O
CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)C=C4C(=O)NC(=S)N(C4=O)CC=C
InChI=1SC24H21N3O2Sc14122623(29)20(22(28)2524(26)30)14181315(2)27(16(18)3)211179178561019(17)21h4111314H112H223H3(H252830)b2014
MFCD02628821
ZINC000012362893
ZINC12362893
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