Vitas-M small molecule compound
(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK590748
SMILES COc1ccccc1N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Cl)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 C24H20ClN3O3S MW 465.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O3S/c1-14-12-16(15(2)27(14)18-10-8-17(25)9-11-18)13-19-22(29)26-24(32)28(23(19)30)20-6-4-5-7-21(20)31-3/h4-13H,1-3H3,(H,26,29,32)/b19-13-InChIKey
BRIKUOQNOPGUIR-UYRXBGFRSA-NSynonyms
585554-40-1(5Z)5((1(4chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)1(2methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((1(4CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(2METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
585554401
CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4OC
COc1ccccc1N1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Cl)C)C1=O)S
InChI=1SC24H20ClN3O3Sc1141216(15(2)27(14)1810817(25)91118)131922(29)2624(32)28(23(19)30)20645721(20)313h413H13H3(H262932)b1913
MFCD07197456
ZINC000009009633
ZINC9009633
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