Vitas-M small molecule compound
(5Z)-5-(4-tert-butylbenzylidene)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK515821
SMILES O=c1/c(=C/c2ccc(cc2)C(C)(C)C)/sc2n1nc(n2)C1COc2c(O1)cccc2
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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 C23H21N3O3S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S/c1-23(2,3)15-10-8-14(9-11-15)12-19-21(27)26-22(30-19)24-20(25-26)18-13-28-16-6-4-5-7-17(16)29-18/h4-12,18H,13H2,1-3H3/b19-12-InChIKey
XUGJRULCFOGPPG-UNOMPAQXSA-NSynonyms
(5Z)5((4tertbutylphenyl)methylidene)2(23dihydro14benzodioxin3yl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(4tertbutylbenzylidene)2(23dihydro14benzodioxin2yl)(13)thiazolo(32b)(124)triazol6(5H)one
CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2
InChI=1SC23H21N3O3Sc123(23)1510814(91115)121921(27)2622(3019)2420(2526)18132816645717(16)2918h41218H13H213H3b1912
MFCD06645401
O=c1c(=Cc2ccc(cc2)C(C)(C)C)sc2n1nc(n2)C1COc2c(O1)cccc2
ZINC000016742071
ZINC000016742072
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