Vitas-M small molecule compound
2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-(pyrrolidin-1-ylsulfonyl)benzoate
Catalog ID
STK757966
SMILES Cc1ccc(c(c1)n1nc2c(n1)cccc2)OC(=O)c1ccc(c(c1)S(=O)(=O)N1CCCC1)Br
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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 C24H21BrN4O4S MW 541.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrN4O4S/c1-16-8-11-22(21(14-16)29-26-19-6-2-3-7-20(19)27-29)33-24(30)17-9-10-18(25)23(15-17)34(31,32)28-12-4-5-13-28/h2-3,6-11,14-15H,4-5,12-13H2,1H3InChIKey
IPNVIMBYCAFOKR-UHFFFAOYSA-NSynonyms
(2(BENZOTRIAZOL2YL)4METHYLPHENYL)4BROMO3PYRROLIDIN1YLSULFONYLBENZOATE
2(2Hbenzotriazol2yl)4methylphenyl4bromo3(pyrrolidin1ylsulfonyl)benzoate
CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCC3)N4N=C5C=CC=CC5=N4
InChI=1SC24H21BrN4O4Sc11681122(21(1416)292619623720(19)2729)3324(30)1791018(25)23(1517)34(3132)2812451328h236111415H451213H21H3
MFCD01197532
ZINC000000854162
ZINC00854162
ZINC854162
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