Vitas-M small molecule compound

(5Z)-2-(2-bromophenyl)-5-[3-methoxy-4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK706171
SMILES CCCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1Br

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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 C23H22BrN3O3S MW 500.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3O3S/c1-3-4-7-12-30-18-11-10-15(13-19(18)29-2)14-20-22(28)27-23(31-20)25-21(26-27)16-8-5-6-9-17(16)24/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/b20-14-
InChIKey
RBGICMFXZLZDCW-ZHZULCJRSA-N
Synonyms
843616-03-5
(5Z)2(2BROMOPHENYL)5((3METHOXY4PENTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(2bromophenyl)5(3methoxy4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(2bromophenyl)5(3methoxy4(pentyloxy)benzylidene)thiazolo(32b)(124)triazol6(5H)one
843616035
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4Br)S2)OC
CCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccccc1Br
InChI=1SC23H22BrN3O3Sc1347123018111015(1319(18)292)142022(28)2723(3120)2521(2627)16856917(16)24h568111314H34712H212H3b2014
MFCD04013228
ZINC000002415208
ZINC02415208
ZINC2415208

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Available files

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