Vitas-M small molecule compound

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

Catalog ID
STK571791
SMILES Clc1cc2c(c3c1OCN(C3)c1c(C)cccc1C(C)C)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 C25H26ClNO3 MW 423.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO3/c1-14(2)16-10-6-7-15(3)22(16)27-12-20-23-19(11-21(26)24(20)29-13-27)17-8-4-5-9-18(17)25(28)30-23/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3
InChIKey
HEQMTXJAYSMXMZ-UHFFFAOYSA-N
Synonyms
850720-52-4
12chloro3(2isopropyl6methylphenyl)3478910hexahydrobenzo(34)chromeno(87e)(13)oxazin6(2H)one
12chloro3(2methyl6(propan2yl)phenyl)3478910hexahydro2H6Hbenzo(34)chromeno(87e)(13)oxazin6one
12chloro3(2methyl6propan2ylphenyl)2478910hexahydroisochromeno(34f)(13)benzoxazin6one
850720524
CC1=C(C(=CC=C1)C(C)C)N2CC3=C4C(=CC(=C3OC2)Cl)C5=C(CCCC5)C(=O)O4
InChI=1SC25H26ClNO3c114(2)16106715(3)22(16)2712202319(1121(26)24(20)291327)17845918(17)25(28)3023h67101114H45891213H213H3
MFCD05692500
ZINC000005352608
ZINC05352608
ZINC5352608

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Available files

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