Vitas-M small molecule compound
(5Z)-5-{[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188084
SMILES CN1C(=S)NC(=O)/C(=C/c2cccn2c2ccc(c(c2)Cl)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 C17H14ClN3O2S MW 359.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O2S/c1-10-5-6-12(9-14(10)18)21-7-3-4-11(21)8-13-15(22)19-17(24)20(2)16(13)23/h3-9H,1-2H3,(H,19,22,24)/b13-8-InChIKey
FEGYYOHSOCLDET-JYRVWZFOSA-NSynonyms
(5Z)5((1(3CHLORO4METHYLPHENYL)1HPYRROL2YL)METHYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(3CHLORO4METHYLPHENYL)PYRROL2YL)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=C(C=C(C=C1)N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C)Cl
CN1C(=S)NC(=O)C(=Cc2cccn2c2ccc(c(c2)Cl)C)C1=O
InChI=1SC17H14ClN3O2Sc1105612(914(10)18)2173411(21)81315(22)1917(24)20(2)16(13)23h39H12H3(H192224)b138
MFCD04546589
ZINC000019877694
ZINC19877694
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