Vitas-M small molecule compound
methyl 3-nitro-5-{[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamoyl}benzoate
Catalog ID
STK057609
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
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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 C19H19N3O7S MW 433.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O7S/c1-29-19(24)14-10-13(11-16(12-14)22(25)26)18(23)20-15-4-6-17(7-5-15)30(27,28)21-8-2-3-9-21/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,23)InChIKey
QNACUYCWWJATSS-UHFFFAOYSA-NSynonyms
590398-99-5590398995
COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
InChI=1SC19H19N3O7Sc12919(24)141013(1116(1214)22(25)26)18(23)20154617(7515)30(2728)21823921h471012H2389H21H3(H2023)
METHYL3NITRO5((4(PYRROLIDIN1YLSULFONYL)PHENYL)CARBAMOYL)BENZOATE
METHYL3NITRO5((4PYRROLIDIN1YLSULFONYLPHENYL)CARBAMOYL)BENZOATE
METHYL3NITRO5(N(4(PYRROLIDINYLSULFONYL)PHENYL)CARBAMOYL)BENZOATE
MFCD03351866
STK057609
ZINC000001131968
ZINC01131968
ZINC1131968
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