Vitas-M small molecule compound
(5Z)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK515820
SMILES CCCCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(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 C24H23N3O4S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O4S/c1-2-3-6-13-29-17-11-9-16(10-12-17)14-21-23(28)27-24(32-21)25-22(26-27)20-15-30-18-7-4-5-8-19(18)31-20/h4-5,7-12,14,20H,2-3,6,13,15H2,1H3/b21-14-InChIKey
QVAXQMHTTGOUOW-STZFKDTASA-NSynonyms
(5Z)2(23dihydro14benzodioxin2yl)5(4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(23dihydro14benzodioxin3yl)5((4pentoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2
CCCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC24H23N3O4Sc123613291711916(101217)142123(28)2724(3221)2522(2627)20153018745819(18)3120h457121420H2361315H21H3b2114
MFCD06645400
ZINC000016742069
ZINC000016742070
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