Vitas-M small molecule compound

1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-ethylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone

Catalog ID
STK676365
SMILES CCc1ccc(cc1)C1(SC2(c3c1cccc3)SC(=NN2c1cccc(c1C)Cl)C(=O)C)c1ccc(cc1)CC

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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 C34H31ClN2OS2 MW 583.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31ClN2OS2/c1-5-24-14-18-26(19-15-24)33(27-20-16-25(6-2)17-21-27)28-10-7-8-11-29(28)34(40-33)37(36-32(39-34)23(4)38)31-13-9-12-30(35)22(31)3/h7-21H,5-6H2,1-4H3
InChIKey
AKEZTPGABHWHIN-UHFFFAOYSA-N
Synonyms

1(3(3chloro2methylphenyl)33bis(4ethylphenyl)3H3Hspiro(2benzothiophene12(134)thiadiazol)5yl)ethanone
1(4(3CHLORO2METHYLPHENYL)33BIS(4ETHYLPHENYL)SPIRO(134THIADIAZOLE512BENZOTHIOPHENE)2YL)ETHANONE
CCC1=CC=C(C=C1)C2(C3=CC=CC=C3C4(S2)N(N=C(S4)C(=O)C)C5=C(C(=CC=C5)Cl)C)C6=CC=C(C=C6)CC
InChI=1SC34H31ClN2OS2c1524141826(191524)33(27201625(62)172127)2810781129(28)34(4033)37(3632(3934)23(4)38)311391230(35)22(31)3h721H56H214H3
MFCD01575654
ZINC000008443966
ZINC000008443968

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Available files

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