Vitas-M small molecule compound
{4-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone
Catalog ID
STK734238
SMILES [O-][N+](=O)c1cc(ccc1Sc1nnc(n1c1ccccc1)Cc1ccccc1)C(=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 C26H23N5O3S MW 485.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O3S/c32-25(29-15-7-8-16-29)20-13-14-23(22(18-20)31(33)34)35-26-28-27-24(17-19-9-3-1-4-10-19)30(26)21-11-5-2-6-12-21/h1-6,9-14,18H,7-8,15-17H2InChIKey
RFGAHLOPQGBNGD-UHFFFAOYSA-NSynonyms
(4((5BENZYL4PHENYL124TRIAZOL3YL)SULFANYL)3NITROPHENYL)PYRROLIDIN1YLMETHANONE
(4((5benzyl4phenyl4H124triazol3yl)sulfanyl)3nitrophenyl)(pyrrolidin1yl)methanone
(O)(N+)(=O)c1cc(ccc1Sc1nnc(n1c1ccccc1)Cc1ccccc1)C(=O)N1CCCC1
C1CCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5)(N+)(=O)(O)
InChI=1SC26H23N5O3Sc3225(2915781629)20131423(22(1820)31(33)34)3526282724(171993141019)30(26)21115261221h1691418H781517H2
MFCD02625614
ZINC000001067254
ZINC01067254
ZINC1067254
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