Vitas-M small molecule compound
5-{[1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188048
SMILES CCN1C(=O)C(=Cc2cc(n(c2C)c2cc(Cl)ccc2OC)C)C(=O)N(C1=S)CC
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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 C22H24ClN3O3S MW 445.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O3S/c1-6-24-20(27)17(21(28)25(7-2)22(24)30)11-15-10-13(3)26(14(15)4)18-12-16(23)8-9-19(18)29-5/h8-12H,6-7H2,1-5H3InChIKey
LDBSMQYEDPAKPI-UHFFFAOYSA-NSynonyms
5((1(5CHLORO2METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)13DIETHYL2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
5((1(5CHLORO2METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)13DIETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(5CHLORO2METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIETHYL2SULFANYLIDENE13DIAZINANE46DIONE
CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=C(C=CC(=C3)Cl)OC)C)C(=O)N(C1=S)CC
InChI=1SC22H24ClN3O3Sc162420(27)17(21(28)25(72)22(24)30)11151013(3)26(14(15)4)181216(23)8919(18)295h812H67H215H3
MFCD03082802
ZINC000000636489
ZINC00636489
ZINC636489
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