Vitas-M small molecule compound

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

Catalog ID
STK817499
SMILES CCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)C(C)C)/c2=O

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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 C25H27N3O2S MW 433.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O2S/c1-4-5-6-15-30-21-13-11-20(12-14-21)23-26-25-28(27-23)24(29)22(31-25)16-18-7-9-19(10-8-18)17(2)3/h7-14,16-17H,4-6,15H2,1-3H3/b22-16-
InChIKey
SZKMFKZHLGDPTQ-JWGURIENSA-N
Synonyms

(5Z)2(4(pentyloxy)phenyl)5(4(propan2yl)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4PENTOXYPHENYL)5((4PROPAN2YLPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)C(C)C)SC3=N2
CCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)C(C)C)c2=O
InChI=1SC25H27N3O2Sc1456153021131120(121421)23262528(2723)24(29)22(3125)16187919(10818)17(2)3h7141617H4615H213H3b2216
MFCD06308806
ZINC000003648983
ZINC03648983
ZINC3648983

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Available files

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