Vitas-M small molecule compound
[3,3-bis(4-methylphenyl)-3'-(4-nitrophenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl](phenyl)methanone
Catalog ID
STK537138
SMILES Cc1ccc(cc1)C1(SC2(c3c1cccc3)SC(=NN2c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccccc1)c1ccc(cc1)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 C36H27N3O3S2 MW 613.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27N3O3S2/c1-24-12-16-27(17-13-24)35(28-18-14-25(2)15-19-28)31-10-6-7-11-32(31)36(44-35)38(29-20-22-30(23-21-29)39(41)42)37-34(43-36)33(40)26-8-4-3-5-9-26/h3-23H,1-2H3InChIKey
JXKLFEPEQYILKD-UHFFFAOYSA-NSynonyms
(3(4nitrophenyl)33diptolyl3H3Hspiro(benzo(c)thiophene12(134)thiadiazol)5yl)(phenyl)methanone
(33bis(4methylphenyl)3(4nitrophenyl)3H3Hspiro(2benzothiophene12(134)thiadiazol)5yl)(phenyl)methanone
(33BIS(4METHYLPHENYL)4(4NITROPHENYL)SPIRO(134THIADIAZOLE512BENZOTHIOPHENE)2YL)PHENYLMETHANONE
CC1=CC=C(C=C1)C2(C3=CC=CC=C3C4(S2)N(N=C(S4)C(=O)C5=CC=CC=C5)C6=CC=C(C=C6)(N+)(=O)(O))C7=CC=C(C=C7)C
Cc1ccc(cc1)C1(SC2(c3c1cccc3)SC(=NN2c1ccc(cc1)(N+)(=O)(O))C(=O)c1ccccc1)c1ccc(cc1)C
InChI=1SC36H27N3O3S2c124121627(171324)35(28181425(2)151928)3110671132(31)36(4435)38(29202230(232129)39(41)42)3734(4336)33(40)268435926h323H12H3
MFCD01575617
ZINC000102420226
ZINC000102420228
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.