Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(4-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK326712
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2nccc(c2)C)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 C24H22N4O3S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3S/c1-14-9-10-25-21(11-14)27-15(2)12-17(16(27)3)13-20-22(29)26-24(32)28(23(20)30)18-5-7-19(31-4)8-6-18/h5-13H,1-4H3,(H,26,29,32)/b20-13-InChIKey
JAWGZJBPLOWRQZ-MOSHPQCFSA-NSynonyms
(5Z)5((25dimethyl1(4methylpyridin2yl)1Hpyrrol3yl)methylidene)1(4methoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
(5Z)5((25DIMETHYL1(4METHYLPYRIDIN2YL)PYRROL3YL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=NC=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC)C
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2nccc(c2)C)C)C1=O
InChI=1SC24H22N4O3Sc1149102521(1114)2715(2)1217(16(27)3)132022(29)2624(32)28(23(20)30)185719(314)8618h513H14H3(H262932)b2013
MFCD09961687
ZINC000018190245
ZINC18190245
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