Vitas-M small molecule compound
(5Z)-2-(furan-2-yl)-5-[3-methoxy-4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800628
SMILES CCCCCOc1ccc(cc1OC)/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/c1-3-4-5-10-27-15-9-8-14(12-17(15)26-2)13-18-20(25)24-21(29-18)22-19(23-24)16-7-6-11-28-16/h6-9,11-13H,3-5,10H2,1-2H3/b18-13-InChIKey
YSRCYHHSDBYSFE-AQTBWJFISA-NSynonyms
(5Z)2(FURAN2YL)5((3METHOXY4PENTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(furan2yl)5(3methoxy4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CO4)S2)OC
CCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccco1
InChI=1SC21H21N3O4Sc13451027159814(1217(15)262)131820(25)2421(2918)2219(2324)1676112816h691113H3510H212H3b1813
MFCD04447149
ZINC000016735810
ZINC16735810
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