Vitas-M small molecule compound
(3Z)-1-benzyl-3-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one
Catalog ID
STK800920
SMILES COc1ccc(cc1OC)c1nc2n(n1)c(=O)/c(=C\1/C(=O)N(c3c1cccc3)Cc1ccccc1)/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 C27H20N4O4S MW 496.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O4S/c1-34-20-13-12-17(14-21(20)35-2)24-28-27-31(29-24)26(33)23(36-27)22-18-10-6-7-11-19(18)30(25(22)32)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3/b23-22-InChIKey
DKXBFENOFNXJOT-FCQUAONHSA-NSynonyms
(3Z)1benzyl3(2(34dimethoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)13dihydro2Hindol2one
(5Z)5(1BENZYL2OXOINDOL3YLIDENE)2(34DIMETHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5(1benzyl2oxoindolin3ylidene)2(34dimethoxyphenyl)thiazolo(32b)(124)triazol6(5H)one
COC1=C(C=C(C=C1)C2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6)SC3=N2)OC
COc1ccc(cc1OC)c1nc2n(n1)c(=O)c(=C1C(=O)N(c3c1cccc3)Cc1ccccc1)s2
InChI=1SC27H20N4O4Sc13420131217(1421(20)352)24282731(2924)26(33)23(3627)221810671119(18)30(25(22)32)15168435916h314H15H212H3b2322
MFCD04012866
ZINC000002409352
ZINC02409352
ZINC2409352
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