Vitas-M small molecule compound
3-(2-{[(4-tert-butylphenyl)carbonyl]amino}-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 4-tert-butylbenzoate
Catalog ID
STK545071
SMILES Cc1ccc(cc1)S(=O)(=O)c1c(NC(=O)c2ccc(cc2)C(C)(C)C)n(c2c1nc1ccccc1n2)CCCOC(=O)c1ccc(cc1)C(C)(C)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 C42H44N4O5S MW 716.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H44N4O5S/c1-27-13-23-32(24-14-27)52(49,50)36-35-37(44-34-12-9-8-11-33(34)43-35)46(38(36)45-39(47)28-15-19-30(20-16-28)41(2,3)4)25-10-26-51-40(48)29-17-21-31(22-18-29)42(5,6)7/h8-9,11-24H,10,25-26H2,1-7H3,(H,45,47)InChIKey
NDGDNDHROTWOLX-UHFFFAOYSA-NSynonyms
3(2(((4tertbutylphenyl)carbonyl)amino)3((4methylphenyl)sulfonyl)1Hpyrrolo(23b)quinoxalin1yl)propyl4tertbutylbenzoate3(2((4TERTBUTYLBENZOYL)AMINO)3(4METHYLPHENYL)SULFONYLPYRROLO(32B)QUINOXALIN1YL)PROPYL4TERTBUTYLBENZOATE
3(2(4(tertbutyl)benzamido)3tosyl1Hpyrrolo(23b)quinoxalin1yl)propyl4(tertbutyl)benzoate
CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCCOC(=O)C5=CC=C(C=C5)C(C)(C)C)NC(=O)C6=CC=C(C=C6)C(C)(C)C
Registry IDs
MFCD03664689ZINC000150419502
ZINC150419502
Check stock
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Check stock on Vitas-MAvailable files
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