Vitas-M small molecule compound
(5Z)-5-{[1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188055
SMILES COc1ccc(cc1n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)C)Cl
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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 C19H18ClN3O3S MW 403.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O3S/c1-10-7-12(8-14-17(24)21-19(27)22(3)18(14)25)11(2)23(10)15-9-13(20)5-6-16(15)26-4/h5-9H,1-4H3,(H,21,24,27)/b14-8-InChIKey
VSQFTVFFRDOCLJ-ZSOIEALJSA-NSynonyms
(5Z)5((1(5CHLORO2METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(5CHLORO2METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C=C3C(=O)NC(=S)N(C3=O)C
COc1ccc(cc1n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)C)Cl
InChI=1SC19H18ClN3O3Sc110712(81417(24)2119(27)22(3)18(14)25)11(2)23(10)15913(20)5616(15)264h59H14H3(H212427)b148
MFCD04537518
ZINC000004711420
ZINC04711420
ZINC4711420
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