Vitas-M small molecule compound
methyl 2-{2,5-dimethyl-3-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Catalog ID
STK175273
SMILES COC(=O)c1ccccc1n1c(C)cc(c1C)C=C1C(=O)NC(=O)NC1=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 C19H17N3O5 MW 367.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O5/c1-10-8-12(9-14-16(23)20-19(26)21-17(14)24)11(2)22(10)15-7-5-4-6-13(15)18(25)27-3/h4-9H,1-3H3,(H2,20,21,23,24,26)InChIKey
ZFSAWIBXFVHVNW-UHFFFAOYSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=O)NC(=O)NC3=O
InChI=1SC19H17N3O5c110812(91416(23)2019(26)2117(14)24)11(2)22(10)15754613(15)18(25)273h49H13H3(H22021232426)
METHYL2(25DIMETHYL3((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOATE
METHYL2(25DIMETHYL3((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
MFCD03711353
ZINC000001161663
ZINC01161663
ZINC1161663
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