Vitas-M small molecule compound
2-chloro-4-{2,5-dimethyl-3-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK175025
SMILES O=C1NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)C(=O)O)C)C(=O)N1
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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 C18H14ClN3O5 MW 387.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClN3O5/c1-8-5-10(6-13-15(23)20-18(27)21-16(13)24)9(2)22(8)11-3-4-12(17(25)26)14(19)7-11/h3-7H,1-2H3,(H,25,26)(H2,20,21,23,24,27)InChIKey
RMMPIRGNYXPNQL-UHFFFAOYSA-NSynonyms
425684-95-32CHLORO4(25DIMETHYL3((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
2CHLORO4(25DIMETHYL3((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
425684953
CC1=CC(=C(N1C2=CC(=C(C=C2)C(=O)O)Cl)C)C=C3C(=O)NC(=O)NC3=O
InChI=1SC18H14ClN3O5c18510(61315(23)2018(27)2116(13)24)9(2)22(8)113412(17(25)26)14(19)711h37H12H3(H2526)(H22021232427)
MFCD02605263
ZINC000004704213
ZINC4704213
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