Vitas-M small molecule compound
(5E)-5-{[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188247
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cc(Cl)ccc2C)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 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-LICLKQGHSA-NSynonyms
(5E)5((1(5CHLORO2METHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(5CHLORO2METHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(Z)1allyl5((1(5chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
1ALLYL5((1(5CHLORO2METHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cc(Cl)ccc2C)C)C1=O
CC1=C(C=C(C=C1)Cl)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)CC=C)C
InChI=1SC21H20ClN3O2Sc1582420(27)17(19(26)2321(24)28)1015913(3)25(14(15)4)181116(22)7612(18)2h57911H18H224H3(H232628)b1710+
MFCD03082771
ZINC000000635652
ZINC00635652
ZINC635652
Check stock
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Check stock on Vitas-MAvailable files
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