Vitas-M small molecule compound
methyl 4-{2,5-dimethyl-3-[(Z)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}-3-methylbenzoate
Catalog ID
STK190045
SMILES COC(=O)c1ccc(c(c1)C)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)C
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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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-11-8-14(20(27)28-5)6-7-17(11)24-12(2)9-15(13(24)3)10-16-18(25)22-21(29)23(4)19(16)26/h6-10H,1-5H3,(H,22,25,29)/b16-10-InChIKey
ZDEGMJPNGDDFHF-YBEGLDIGSA-NSynonyms
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=C3C(=O)NC(=S)N(C3=O)C
COC(=O)c1ccc(c(c1)C)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC21H21N3O4Sc111814(20(27)285)6717(11)2412(2)915(13(24)3)101618(25)2221(29)23(4)19(16)26h610H15H3(H222529)b1610
METHYL4(25DIMETHYL3((Z)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)3METHYLBENZOATE
METHYL4(25DIMETHYL3((Z)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)3METHYLBENZOATE
MFCD03226759
ZINC000015012650
ZINC15012650
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