Vitas-M small molecule compound
(5Z)-5-[3-methoxy-4-(2-methylpropoxy)benzylidene]-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816697
SMILES COc1cc(ccc1OCC(C)C)/C=c/1\sc2n(c1=O)nc(n2)c1oc2c(c1C)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 C25H23N3O4S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S/c1-14(2)13-31-19-10-9-16(11-20(19)30-4)12-21-24(29)28-25(33-21)26-23(27-28)22-15(3)17-7-5-6-8-18(17)32-22/h5-12,14H,13H2,1-4H3/b21-12-InChIKey
HVSKHHYTWKNKJW-MTJSOVHGSA-NSynonyms
(5Z)5((3METHOXY4(2METHYLPROPOXY)PHENYL)METHYLIDENE)2(3METHYL1BENZOFURAN2YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(3methoxy4(2methylpropoxy)benzylidene)2(3methyl1benzofuran2yl)(13)thiazolo(32b)(124)triazol6(5H)one
CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)C(=CC5=CC(=C(C=C5)OCC(C)C)OC)SC4=N3
COc1cc(ccc1OCC(C)C)C=c1sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2
InChI=1SC25H23N3O4Sc114(2)13311910916(1120(19)304)122124(29)2825(3321)2623(2728)2215(3)17756818(17)3222h51214H13H214H3b2112
MFCD03533515
ZINC000016733629
ZINC16733629
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