Vitas-M small molecule compound
6-({[(6-carboxy-1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)carbonyl]carbamoyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylic acid
Catalog ID
STK373403
SMILES O=C(NC(=O)c1cc2C(=O)OC(=O)c2cc1C(=O)O)NC(=O)c1cc2C(=O)OC(=O)c2cc1C(=O)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 C21H8N2O13 MW 496.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H8N2O13/c24-13(5-1-9-11(3-7(5)15(26)27)19(32)35-17(9)30)22-21(34)23-14(25)6-2-10-12(4-8(6)16(28)29)20(33)36-18(10)31/h1-4H,(H,26,27)(H,28,29)(H2,22,23,24,25,34)InChIKey
WZNMSNJKOKENKH-UHFFFAOYSA-NSynonyms
6((((6carboxy13dioxo13dihydro2benzofuran5yl)carbonyl)carbamoyl)carbamoyl)13dioxo13dihydro2benzofuran5carboxylicacid
6((6CARBOXY13DIOXO2BENZOFURAN5CARBONYL)CARBAMOYLCARBAMOYL)13DIOXO2BENZOFURAN5CARBOXYLICACID
6(N(((6CARBOXY13DIOXOISOBENZOFURAN5YL)CARBONYLAMINO)CARBONYL)CARBAMOYL)13DIOXOISOBENZOFURAN5CARBOXYLICACID
C1=C2C(=CC(=C1C(=O)NC(=O)NC(=O)C3=C(C=C4C(=C3)C(=O)OC4=O)C(=O)O)C(=O)O)C(=O)OC2=O
InChI=1SC21H8N2O13c2413(51911(37(5)15(26)27)19(32)3517(9)30)2221(34)2314(25)621012(48(6)16(28)29)20(33)3618(10)31h14H(H2627)(H2829)(H22223242534)
MFCD00781883
ZINC000100154424
ZINC100154424
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