Vitas-M small molecule compound
(5Z)-1-benzyl-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK568406
SMILES Clc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)Cc1ccccc1)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 C24H20ClN3O2S MW 449.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O2S/c1-15-12-18(16(2)28(15)20-10-8-19(25)9-11-20)13-21-22(29)26-24(31)27(23(21)30)14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,26,29,31)/b21-13-InChIKey
IZLZPVJVWFVUOG-BKUYFWCQSA-NSynonyms
585562-76-1(5Z)1benzyl5((1(4chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1BENZYL5((1(4CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
585562761
CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=CC=C4
Clc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)Cc1ccccc1)S
InChI=1SC24H20ClN3O2Sc1151218(16(2)28(15)2010819(25)91120)132122(29)2624(31)27(23(21)30)14176435717h313H14H212H3(H262931)b2113
MFCD05734099
ZINC000002393335
ZINC02393335
ZINC17250439
ZINC2393335
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