Vitas-M small molecule compound
4-{[(E)-(1-cyclopropyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}benzoic acid
Catalog ID
STL044499
SMILES OC(=O)c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)C1CC1)S
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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 C15H13N3O4S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O4S/c19-12-11(13(20)18(10-5-6-10)15(23)17-12)7-16-9-3-1-8(2-4-9)14(21)22/h1-4,7,10,16H,5-6H2,(H,21,22)(H,17,19,23)/b11-7+InChIKey
HNXUPMNTWHAQRI-YRNVUSSQSA-NSynonyms
4(((E)(1cyclopropyl46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)benzoicacid
4(((E)(1CYCLOPROPYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOICACID
C1CC1N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)O)C(=O)NC2=S
InChI=1SC15H13N3O4Sc191211(13(20)18(105610)15(23)1712)7169318(249)14(21)22h1471016H56H2(H2122)(H171923)b117+
MFCD04079644
OC(=O)c1ccc(cc1)NC=C1C(=O)N=C(N(C1=O)C1CC1)S
ZINC000018152191
ZINC18152191
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