Vitas-M small molecule compound

12-chloro-3-[3-(1H-imidazol-1-yl)propyl]-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one

Catalog ID
STK611665
SMILES Clc1cc2c(c3c1OCN(C3)CCCn1cncc1)oc(=O)c1c2CCCC1

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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 C21H22ClN3O3 MW 399.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O3/c22-18-10-16-14-4-1-2-5-15(14)21(26)28-19(16)17-11-25(13-27-20(17)18)8-3-7-24-9-6-23-12-24/h6,9-10,12H,1-5,7-8,11,13H2
InChIKey
CYTXEPDXMGKLHS-UHFFFAOYSA-N
Synonyms
903863-74-1
12chloro3(3(1Himidazol1yl)propyl)3478910hexahydro2H6Hbenzo(34)chromeno(87e)(13)oxazin6one
12chloro3(3imidazol1ylpropyl)2478910hexahydroisochromeno(34f)(13)benzoxazin6one
3(3(1Himidazol1yl)propyl)12chloro3478910hexahydrobenzo(34)chromeno(87e)(13)oxazin6(2H)one
903863741
C1CCC2=C(C1)C3=CC(=C4C(=C3OC2=O)CN(CO4)CCCN5C=CN=C5)Cl
InChI=1SC21H22ClN3O3c2218101614412515(14)21(26)2819(16)171125(132720(17)18)8372496231224h691012H15781113H2
MFCD08290450
ZINC000038777277
ZINC38777277

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Available files

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