Vitas-M small molecule compound
1-[3'-(4-nitrophenyl)-3,3-diphenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Catalog ID
STK733642
SMILES CC(=O)C1=NN(C2(S1)SC(c1c2cccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
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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 C29H21N3O3S2 MW 523.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O3S2/c1-20(33)27-30-31(23-16-18-24(19-17-23)32(34)35)29(36-27)26-15-9-8-14-25(26)28(37-29,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19H,1H3InChIKey
VIWSIZIZEWGACL-UHFFFAOYSA-NSynonyms
1(3(4NITROPHENYL)33DIPHENYL3H3HSPIRO(2BENZOTHIOPHENE12(134)THIADIAZOL)5YL)ETHANONE
1(3(4nitrophenyl)33diphenyl3H3Hspiro(benzo(c)thiophene12(134)thiadiazol)5yl)ethanone
1(4(4NITROPHENYL)33DIPHENYLSPIRO(134THIADIAZOLE512BENZOTHIOPHENE)2YL)ETHANONE
CC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(S2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)(N+)(=O)(O)
CC(=O)C1=NN(C2(S1)SC(c1c2cccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC29H21N3O3S2c120(33)273031(23161824(191723)32(34)35)29(3627)2615981425(26)28(372921104251121)22126371322h219H1H3
MFCD01204170
ZINC000008407536
ZINC000008407539
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