Vitas-M small molecule compound

5-[(2-chloroethyl)amino]-3-methyl-6H-anthra[1,9-cd][1,2]oxazol-6-one

Catalog ID
STK838491
SMILES ClCCNc1cc(C)c2c3c1C(=O)c1ccccc1c3on2

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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 C17H13ClN2O2 MW 312.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O2/c1-9-8-12(19-7-6-18)13-14-15(9)20-22-17(14)11-5-3-2-4-10(11)16(13)21/h2-5,8,19H,6-7H2,1H3
InChIKey
XOXFGCNZSBLACE-UHFFFAOYSA-N
Synonyms
92629-31-7
5((2chloroethyl)amino)3methyl6Hanthra(19cd)(12)oxazol6one
5((2chloroethyl)amino)3methyl6Hanthra(19cd)isoxazol6one
5(2CHLOROETHYLAMINO)3METHYLANTHRA(19CD)ISOXAZOL6ONE
92629317
CC1=CC(=C2C3=C(C4=CC=CC=C4C2=O)ON=C13)NCCCl
InChI=1SC17H13ClN2O2c19812(197618)131415(9)202217(14)11532410(11)16(13)21h25819H67H21H3
MFCD00980291
ZINC000002280951
ZINC02280951
ZINC2280951

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.