Vitas-M small molecule compound
ethyl 3,3-bis(4-bromophenyl)-3'-(3-chlorophenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK675805
SMILES CCOC(=O)C1=NN(C2(S1)SC(c1c2cccc1)(c1ccc(cc1)Br)c1ccc(cc1)Br)c1cccc(c1)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 C30H21Br2ClN2O2S2 MW 700.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21Br2ClN2O2S2/c1-2-37-28(36)27-34-35(24-7-5-6-23(33)18-24)30(38-27)26-9-4-3-8-25(26)29(39-30,19-10-14-21(31)15-11-19)20-12-16-22(32)17-13-20/h3-18H,2H2,1H3InChIKey
PBRMFWCKWGQCAP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(S2)(C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)C6=CC(=CC=C6)Cl
ethyl33bis(4bromophenyl)3(3chlorophenyl)3H3Hspiro(2benzothiophene12(134)thiadiazole)5carboxylate
ETHYL33BIS(4BROMOPHENYL)4(3CHLOROPHENYL)SPIRO(134THIADIAZOLE512BENZOTHIOPHENE)2CARBOXYLATE
InChI=1SC30H21Br2ClN2O2S2c123728(36)273435(2475623(33)1824)30(3827)26943825(26)29(393019101421(31)151119)20121622(32)171320h318H2H21H3
MFCD01575666
ZINC000008443925
ZINC000008443927
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