Vitas-M small molecule compound

(3E)-6-chloro-3-[(3E)-2-oxo-4-phenylbut-3-en-1-ylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one

Catalog ID
STK855420
SMILES O=C(/C=c\1/[nH]c2cc(Cl)ccc2oc1=O)/C=C/c1ccccc1

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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 C18H12ClNO3 MW 325.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClNO3/c19-13-7-9-17-15(10-13)20-16(18(22)23-17)11-14(21)8-6-12-4-2-1-3-5-12/h1-11,20H/b8-6+,16-11+
InChIKey
HBVLDVCTDNNQIH-IAPFJDDYSA-N
Synonyms

(3E)6chloro3((3E)2oxo4phenylbut3en1ylidene)34dihydro2H14benzoxazin2one
(3E)6CHLORO3((E)2OXO4PHENYLBUT3ENYLIDENE)4H14BENZOXAZIN2ONE
(E)6chloro3((E)2oxo4phenylbut3en1ylidene)34dihydro2Hbenzo(b)(14)oxazin2one
C1=CC=C(C=C1)C=CC(=O)C=C2C(=O)OC3=C(N2)C=C(C=C3)Cl
InChI=1SC18H12ClNO3c1913791715(1013)2016(18(22)2317)1114(21)86124213512h11120Hb86+1611+
MFCD03299539
O=C(C=c1(nH)c2cc(Cl)ccc2oc1=O)C=Cc1ccccc1
ZINC000005731354
ZINC05731354
ZINC5731354

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Available files

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