Vitas-M small molecule compound
3-{2-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STL015444
SMILES S=C1NC(=O)C(=Cc2cccn2c2cccc(c2)C(=O)O)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 C16H11N3O4S MW 341.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O4S/c20-13-12(14(21)18-16(24)17-13)8-11-5-2-6-19(11)10-4-1-3-9(7-10)15(22)23/h1-8H,(H,22,23)(H2,17,18,20,21,24)InChIKey
SHUAJKHTCHSDLN-UHFFFAOYSA-NSynonyms
593272-76-53(2((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
3(2((46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
3(2((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)benzoicacid
593272765
C1=CC(=CC(=C1)N2C=CC=C2C=C3C(=O)NC(=S)NC3=O)C(=O)O
InChI=1SC16H11N3O4Sc201312(14(21)1816(24)1713)81152619(11)104139(710)15(22)23h18H(H2223)(H21718202124)
MFCD03864159
ZINC000001294327
ZINC1294327
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