Vitas-M small molecule compound
(5Z)-2-(furan-2-yl)-5-[3-methoxy-4-(3-methylbutoxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800052
SMILES COc1cc(ccc1OCCC(C)C)/C=c/1\sc2n(c1=O)nc(n2)c1ccco1
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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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-13(2)8-10-28-15-7-6-14(11-17(15)26-3)12-18-20(25)24-21(29-18)22-19(23-24)16-5-4-9-27-16/h4-7,9,11-13H,8,10H2,1-3H3/b18-12-InChIKey
WGRXOVXPTWHNEK-PDGQHHTCSA-NSynonyms
(5Z)2(FURAN2YL)5((3METHOXY4(3METHYLBUTOXY)PHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(furan2yl)5(3methoxy4(3methylbutoxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CO4)S2)OC
COc1cc(ccc1OCCC(C)C)C=c1sc2n(c1=O)nc(n2)c1ccco1
InChI=1SC21H21N3O4Sc113(2)81028157614(1117(15)263)121820(25)2421(2918)2219(2324)165492716h4791113H810H213H3b1812
MFCD04447029
ZINC000016735396
ZINC16735396
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