Vitas-M small molecule compound

(5E)-5-[4-(benzyloxy)-3-methoxybenzylidene]-2-(4-tert-butylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK796935
SMILES COc1cc(ccc1OCc1ccccc1)/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C

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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 C29H27N3O3S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S/c1-29(2,3)22-13-11-21(12-14-22)26-30-28-32(31-26)27(33)25(36-28)17-20-10-15-23(24(16-20)34-4)35-18-19-8-6-5-7-9-19/h5-17H,18H2,1-4H3/b25-17+
InChIKey
YVTMTLXJBOBYAE-KOEQRZSOSA-N
Synonyms

(5E)2(4TERTBUTYLPHENYL)5((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4(benzyloxy)3methoxybenzylidene)2(4tertbutylphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(4(benzyloxy)3methoxybenzylidene)2(4(tertbutyl)phenyl)thiazolo(32b)(124)triazol6(5H)one
5((4(BENZYLOXY)3METHOXYPHENYL)METHYLIDENE)2(4TERTBUTYLPHENYL)5H6H(124)TRIAZOLO(32B)(13)THIAZOL6ONE
CC(C)(C)C1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)SC3=N2
COc1cc(ccc1OCc1ccccc1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C
InChI=1SC29H27N3O3Sc129(23)22131121(121422)26302832(3126)27(33)25(3628)1720101523(24(1620)344)3518198657919h517H18H214H3b2517+
MFCD03225773
ZINC000019912688
ZINC19912688

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Available files

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