Vitas-M small molecule compound
(5Z)-1-butyl-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL041653
SMILES CCCCN1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)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 C21H22ClN3O2S MW 415.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O2S/c1-4-5-10-24-20(27)18(19(26)23-21(24)28)12-15-11-13(2)25(14(15)3)17-8-6-16(22)7-9-17/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,26,28)/b18-12-InChIKey
CKQGNGJXYDTKAG-PDGQHHTCSA-NSynonyms
585549-74-2(5Z)1butyl5((1(4chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(5Z)1BUTYL5((1(4CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(Z)1butyl5((1(4chlorophenyl)25dimethyl1Hpyrrol3yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
585549742
CCCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)Cl)C)C(=O)NC1=S
CCCCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Cl)C)C1=O
InChI=1SC21H22ClN3O2Sc145102420(27)18(19(26)2321(24)28)12151113(2)25(14(15)3)178616(22)7917h691112H4510H213H3(H232628)b1812
MFCD04027970
ZINC000002382729
ZINC000009109774
ZINC09109774
ZINC9109774
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