Vitas-M small molecule compound

(5Z)-5-(2-butoxybenzylidene)-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK818317
SMILES CCCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccccc1OCCCC)/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 C27H31N3O3S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3S/c1-3-5-7-10-18-32-22-15-13-20(14-16-22)25-28-27-30(29-25)26(31)24(34-27)19-21-11-8-9-12-23(21)33-17-6-4-2/h8-9,11-16,19H,3-7,10,17-18H2,1-2H3/b24-19-
InChIKey
NTRGHIYRSVSDQI-CLCOLTQESA-N
Synonyms

(5Z)5((2BUTOXYPHENYL)METHYLIDENE)2(4HEXOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(2butoxybenzylidene)2(4(hexyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4OCCCC)SC3=N2
CCCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccccc1OCCCC)s2
InChI=1SC27H31N3O3Sc135710183222151320(141622)25282730(2925)26(31)24(3427)192111891223(21)3317642h89111619H37101718H212H3b2419
MFCD06643083
ZINC000003651041
ZINC03651041
ZINC3651041

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Available files

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