Vitas-M small molecule compound
1-[3,3-bis(4-chlorophenyl)-3'-(2-nitrophenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Catalog ID
STL053410
SMILES Clc1ccc(cc1)C1(SC2(c3c1cccc3)SC(=NN2c1ccccc1[N+](=O)[O-])C(=O)C)c1ccc(cc1)Cl
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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 C29H19Cl2N3O3S2 MW 592.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19Cl2N3O3S2/c1-18(35)27-32-33(25-8-4-5-9-26(25)34(36)37)29(38-27)24-7-3-2-6-23(24)28(39-29,19-10-14-21(30)15-11-19)20-12-16-22(31)17-13-20/h2-17H,1H3InChIKey
JBFMTCIQWXOVAM-UHFFFAOYSA-NSynonyms
1(33bis(4chlorophenyl)3(2nitrophenyl)3H3Hspiro(2benzothiophene12(134)thiadiazol)5yl)ethanone
1(33bis(4chlorophenyl)3(2nitrophenyl)3H3Hspiro(benzo(c)thiophene12(134)thiadiazol)5yl)ethanone
1(33bis(4chlorophenyl)4(2nitrophenyl)spiro(134thiadiazole512benzothiophene)2yl)ethanone
CC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(S2)(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=CC=C6(N+)(=O)(O)
Clc1ccc(cc1)C1(SC2(c3c1cccc3)SC(=NN2c1ccccc1(N+)(=O)(O))C(=O)C)c1ccc(cc1)Cl
InChI=1SC29H19Cl2N3O3S2c118(35)273233(25845926(25)34(36)37)29(3827)24732623(24)28(392919101421(30)151119)20121622(31)171320h217H1H3
MFCD01575635
ZINC000102890951
ZINC000102890952
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