Vitas-M small molecule compound

4-chloro-2-{[(2E)-3-phenylbut-2-enoyl]amino}benzoic acid

Catalog ID
STK003036
SMILES O=C(Nc1cc(Cl)ccc1C(=O)O)/C=C(/c1ccccc1)\C

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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 C17H14ClNO3 MW 315.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClNO3/c1-11(12-5-3-2-4-6-12)9-16(20)19-15-10-13(18)7-8-14(15)17(21)22/h2-10H,1H3,(H,19,20)(H,21,22)/b11-9+
InChIKey
JFVIQFQOTGFEMK-PKNBQFBNSA-N
Synonyms

4CHLORO2(((2E)3PHENYLBUT2ENOYL)AMINO)BENZOICACID
4CHLORO2(((E)3PHENYLBUT2ENOYL)AMINO)BENZOICACID
CC(=CC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O)C2=CC=CC=C2
InChI=1SC17H14ClNO3c111(125324612)916(20)19151013(18)7814(15)17(21)22h210H1H3(H1920)(H2122)b119+
MFCD01975018
O=C(Nc1cc(Cl)ccc1C(=O)O)C=C(c1ccccc1)C
STK003036
ZINC000004548917
ZINC4548917

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Available files

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