Vitas-M small molecule compound

methyl 3-{[N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4-methylbenzoate

Catalog ID
STK899850
SMILES COC(=O)c1ccc(c(c1)NC(=O)CN(S(=O)(=O)C)c1ccc(c(c1)Cl)OC)C

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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 C19H21ClN2O6S MW 440.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O6S/c1-12-5-6-13(19(24)28-3)9-16(12)21-18(23)11-22(29(4,25)26)14-7-8-17(27-2)15(20)10-14/h5-10H,11H2,1-4H3,(H,21,23)
InChIKey
FVOIDXXRCJFCPB-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C
InChI=1SC19H21ClN2O6Sc1125613(19(24)283)916(12)2118(23)1122(29(425)26)147817(272)15(20)1014h510H11H214H3(H2123)
METHYL3(((3CHLORO4METHOXY(METHYLSULFONYL)ANILINO)ACETYL)AMINO)4METHYLBENZOATE
METHYL3((2(3CHLORO4METHOXYNMETHYLSULFONYLANILINO)ACETYL)AMINO)4METHYLBENZOATE
methyl3((N(3chloro4methoxyphenyl)N(methylsulfonyl)glycyl)amino)4methylbenzoate
MFCD03068748
ZINC000000980299
ZINC00980299
ZINC980299

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Available files

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