Vitas-M small molecule compound
(5Z)-2-[4-(hexyloxy)phenyl]-5-(thiophen-2-ylmethylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818326
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cccs1)/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 C21H21N3O2S2 MW 411.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S2/c1-2-3-4-5-12-26-16-10-8-15(9-11-16)19-22-21-24(23-19)20(25)18(28-21)14-17-7-6-13-27-17/h6-11,13-14H,2-5,12H2,1H3/b18-14-InChIKey
OOOXVLFNEAFQCM-JXAWBTAJSA-NSynonyms
(5Z)2(4(hexyloxy)phenyl)5(thiophen2ylmethylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4HEXOXYPHENYL)5(THIOPHEN2YLMETHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CS4)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cccs1)c2=O
InChI=1SC21H21N3O2S2c1234512261610815(91116)19222124(2319)20(25)18(2821)141776132717h6111314H2512H21H3b1814
MFCD04447832
ZINC000003649206
ZINC03649206
ZINC3649206
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