Vitas-M small molecule compound
3-{[4-(phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid
Catalog ID
STK030552
SMILES OC(=O)c1cccc(c1)Nc1nc(Nc2ccccc2)nc(n1)N1CCCC1
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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 C20H20N6O2 MW 376.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O2/c27-17(28)14-7-6-10-16(13-14)22-19-23-18(21-15-8-2-1-3-9-15)24-20(25-19)26-11-4-5-12-26/h1-3,6-10,13H,4-5,11-12H2,(H,27,28)(H2,21,22,23,24,25)InChIKey
JMXVCIRSULFZLE-UHFFFAOYSA-NSynonyms
3((4(PHENYLAMINO)6(PYRROLIDIN1YL)135TRIAZIN2YL)AMINO)BENZOICACID
3((4(PHENYLAMINO)6PYRROLIDINYL135TRIAZIN2YL)AMINO)BENZOICACID
3((4ANILINO6(1PYRROLIDINYL)135TRIAZIN2YL)AMINO)BENZOICACID
3((4ANILINO6PYRROLIDIN1YL135TRIAZIN2YL)AMINO)BENZOICACID
C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4
InChI=1SC20H20N6O2c2717(28)14761016(1314)22192318(21158213915)2420(2519)2611451226h1361013H451112H2(H2728)(H22122232425)
MFCD03085915
OC(=O)c1cccc(c1)Nc1nc(Nc2ccccc2)nc(n1)N1CCCC1
STK030552
ZINC000002597669
ZINC2597669
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