Vitas-M small molecule compound

(3E)-6-chloro-3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one

Catalog ID
STL234791
SMILES Clc1ccc2c(c1)[nH]/c(=C/C(=O)c1sc(cc1C)c1ccccc1)/c(=O)o2

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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 C21H14ClNO3S MW 395.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClNO3S/c1-12-9-19(13-5-3-2-4-6-13)27-20(12)17(24)11-16-21(25)26-18-8-7-14(22)10-15(18)23-16/h2-11,23H,1H3/b16-11+
InChIKey
VKXCBGPLYZVKQW-LFIBNONCSA-N
Synonyms

(3E)6chloro3(2(3methyl5phenylthiophen2yl)2oxoethylidene)34dihydro2H14benzoxazin2one
(3E)6CHLORO3(2(3METHYL5PHENYLTHIOPHEN2YL)2OXOETHYLIDENE)4H14BENZOXAZIN2ONE
(E)6chloro3(2(3methyl5phenylthiophen2yl)2oxoethylidene)34dihydro2Hbenzo(b)(14)oxazin2one
CC1=C(SC(=C1)C2=CC=CC=C2)C(=O)C=C3C(=O)OC4=C(N3)C=C(C=C4)Cl
Clc1ccc2c(c1)(nH)c(=CC(=O)c1sc(cc1C)c1ccccc1)c(=O)o2
InChI=1SC21H14ClNO3Sc112919(135324613)2720(12)17(24)111621(25)26188714(22)1015(18)2316h21123H1H3b1611+
MFCD03304740
ZINC000100820675
ZINC100820675

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Available files

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