Vitas-M small molecule compound
(5Z)-5-(4-butoxybenzylidene)-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904451
SMILES CCCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1cccs1
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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 C21H19N3O2S2 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O2S2/c1-2-3-12-26-16-8-6-15(7-9-16)14-18-20(25)24-21(28-18)22-19(23-24)11-10-17-5-4-13-27-17/h4-11,13-14H,2-3,12H2,1H3/b11-10+,18-14-InChIKey
DCDUIMHWVKGQAD-MUUZYNTISA-NSynonyms
(5Z)5((4butoxyphenyl)methylidene)2((E)2thiophen2ylethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(4butoxybenzylidene)2((E)2(thiophen2yl)ethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=CS4)S2
CCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)C=Cc1cccs1
InChI=1SC21H19N3O2S2c1231226168615(7916)141820(25)2421(2818)2219(2324)11101754132717h4111314H2312H21H3b1110+1814
MFCD18175411
ZINC000027021937
ZINC27021937
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