Vitas-M small molecule compound

(3Z)-1-benzyl-3-[6-oxo-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one

Catalog ID
STK814185
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\1/c3ccccc3N(C1=O)Cc1ccccc1)/c2=O

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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 C28H22N4O3S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O3S/c1-2-16-35-20-14-12-19(13-15-20)25-29-28-32(30-25)27(34)24(36-28)23-21-10-6-7-11-22(21)31(26(23)33)17-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3/b24-23-
InChIKey
BZMYSCPWAROTJO-VHXPQNKSSA-N
Synonyms

(3Z)1benzyl3(6oxo2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol5(6H)ylidene)13dihydro2Hindol2one
(5Z)5(1BENZYL2OXOINDOL3YLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5(1benzyl2oxoindolin3ylidene)2(4propoxyphenyl)thiazolo(32b)(124)triazol6(5H)one
5(1BENZYL2OXOINDOLIN3YLIDENE)2(4PROPOXYPHENYL)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=C1c3ccccc3N(C1=O)Cc1ccccc1)c2=O
InChI=1SC28H22N4O3Sc12163520141219(131520)25292832(3025)27(34)24(3628)232110671122(21)31(26(23)33)17188435918h315H21617H21H3b2423
MFCD03533831
ZINC000002263101
ZINC02263101
ZINC2263101

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Available files

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