Vitas-M small molecule compound
(5Z)-5-{[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK587597
SMILES C=CCN1C(=NC(=O)/C(=C/c2cc(n(c2C)c2cc(Cl)ccc2C)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 C21H20ClN3O2S MW 413.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O2S/c1-5-8-24-20(27)17(19(26)23-21(24)28)10-15-9-13(3)25(14(15)4)18-11-16(22)7-6-12(18)2/h5-7,9-11H,1,8H2,2-4H3,(H,23,26,28)/b17-10-InChIKey
XECIHHGFGOXLOU-YVLHZVERSA-NSynonyms
470681-24-4(5Z)5((1(5chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)1(prop2en1yl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((1(5CHLORO2METHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
470681244
C=CCN1C(=NC(=O)C(=Cc2cc(n(c2C)c2cc(Cl)ccc2C)C)C1=O)S
InChI=1SC21H20ClN3O2Sc1582420(27)17(19(26)2321(24)28)1015913(3)25(14(15)4)181116(22)7612(18)2h57911H18H224H3(H232628)b1710
MFCD07207786
ZINC000013712150
ZINC13712150
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