Vitas-M small molecule compound

(5Z)-2-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-(1-heptyl-2-thioxo-1,2-dihydro-3H-indol-3-ylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK821806
SMILES CCCCCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(n3)C2C(C2(C)C)C=C(Cl)Cl)/C1=S

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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 C26H28Cl2N4OS2 MW 547.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28Cl2N4OS2/c1-4-5-6-7-10-13-31-17-12-9-8-11-15(17)19(24(31)34)21-23(33)32-25(35-21)29-22(30-32)20-16(14-18(27)28)26(20,2)3/h8-9,11-12,14,16,20H,4-7,10,13H2,1-3H3/b21-19-
InChIKey
GBCUEXFPDZQMPY-VZCXRCSSSA-N
Synonyms

(5Z)2(3(22dichloroethenyl)22dimethylcyclopropyl)5(1heptyl2sulfanylideneindol3ylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(3(22dichloroethenyl)22dimethylcyclopropyl)5(1heptyl2thioxo12dihydro3Hindol3ylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=N4)C5C(C5(C)C)C=C(Cl)Cl)S3)C1=S
CCCCCCCN1c2ccccc2C(=c2sc3n(c2=O)nc(n3)C2C(C2(C)C)C=C(Cl)Cl)C1=S
InChI=1SC26H28Cl2N4OS2c145671013311712981115(17)19(24(31)34)2123(33)3225(3521)2922(3032)2016(1418(27)28)26(202)3h891112141620H471013H213H3b2119
MFCD03088816
ZINC000101331372
ZINC000101331377

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Available files

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