Vitas-M small molecule compound

4-[({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)amino]benzoic acid

Catalog ID
STL477713
SMILES C=CCn1c2ccccc2c2c1nc(SCC(=O)Nc1ccc(cc1)C(=O)O)nn2

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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 C21H17N5O3S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O3S/c1-2-11-26-16-6-4-3-5-15(16)18-19(26)23-21(25-24-18)30-12-17(27)22-14-9-7-13(8-10-14)20(28)29/h2-10H,1,11-12H2,(H,22,27)(H,28,29)
InChIKey
OLKDECQFLWZVOT-UHFFFAOYSA-N
Synonyms

4((((5(prop2en1yl)5H(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)benzoicacid
4((2((5prop2enyl(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)benzoicacid
C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)O
InChI=1SC21H17N5O3Sc12112616643515(16)1819(26)2321(252418)301217(27)22149713(81014)20(28)29h210H11112H2(H2227)(H2829)
MFCD30502757
ZINC000334160908

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Available files

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