Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-[4-(heptyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904982
SMILES CCCCCCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
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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 C28H33N3O3S MW 491.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O3S/c1-3-5-7-8-9-19-34-23-14-10-21(11-15-23)20-25-27(32)31-28(35-25)29-26(30-31)22-12-16-24(17-13-22)33-18-6-4-2/h10-17,20H,3-9,18-19H2,1-2H3/b25-20-InChIKey
MZYAGGZUYIWAPY-QQTULTPQSA-NSynonyms
(5Z)2(4butoxyphenyl)5((4heptoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(4butoxyphenyl)5(4(heptyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCCCC)S2
CCCCCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
InChI=1SC28H33N3O3Sc135789193423141021(111523)202527(32)3128(3525)2926(3031)22121624(171322)3318642h101720H391819H212H3b2520
MFCD18076199
ZINC000097947373
ZINC97947373
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