Vitas-M small molecule compound
(3E)-3-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL448705
SMILES CCN1c2ccc(cc2/C(=C\c2cc(n(c2C)c2ccc(cc2)Br)C)/C1=O)S(=O)(=O)N1CCOCC1
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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 C27H28BrN3O4S MW 570.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrN3O4S/c1-4-30-26-10-9-23(36(33,34)29-11-13-35-14-12-29)17-24(26)25(27(30)32)16-20-15-18(2)31(19(20)3)22-7-5-21(28)6-8-22/h5-10,15-17H,4,11-14H2,1-3H3/b25-16+InChIKey
ZCAOWPABQIQEQJ-PCLIKHOPSA-NSynonyms
(3E)3((1(4bromophenyl)25dimethyl1Hpyrrol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3E)3((1(4bromophenyl)25dimethylpyrrol3yl)methylidene)1ethyl5morpholin4ylsulfonylindol2one
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=C(N(C(=C4)C)C5=CC=C(C=C5)Br)C)C1=O
CCN1c2ccc(cc2C(=Cc2cc(n(c2C)c2ccc(cc2)Br)C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC27H28BrN3O4Sc14302610923(36(3334)29111335141229)1724(26)25(27(30)32)16201518(2)31(19(20)3)227521(28)6822h5101517H41114H213H3b2516+
MFCD30712994
ZINC000101377533
ZINC101377533
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