Vitas-M small molecule compound

(3Z)-1-butyl-3-{6-oxo-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one

Catalog ID
STK817506
SMILES CCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C\1/C(=O)N(c3c1cccc3)CCCC)/s2

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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 C27H28N4O3S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S/c1-3-5-9-17-34-19-14-12-18(13-15-19)24-28-27-31(29-24)26(33)23(35-27)22-20-10-7-8-11-21(20)30(25(22)32)16-6-4-2/h7-8,10-15H,3-6,9,16-17H2,1-2H3/b23-22-
InChIKey
QCRQIWWXODUJBM-FCQUAONHSA-N
Synonyms
(3Z)1butyl3(6oxo2(4(pentyloxy)phenyl)(13)thiazolo(32b)(124)triazol5(6H)ylidene)13dihydro2Hindol2one
(5Z)5(1butyl2oxoindol3ylidene)2(4pentoxyphenyl)(13)thiazolo(32b)(124)triazol6one
CCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CCCC)SC3=N2
CCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=C1C(=O)N(c3c1cccc3)CCCC)s2
Registry IDs
MFCD06308510
ZINC000003649532
ZINC03649532
ZINC3649532

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Available files

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