Vitas-M small molecule compound
(2Z)-6-benzyl-2-[3-ethoxy-4-(pentyloxy)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK704939
SMILES CCCCCOc1ccc(cc1OCC)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1
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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 C26H27N3O4S MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4S/c1-3-5-9-14-33-21-13-12-19(16-22(21)32-4-2)17-23-25(31)29-26(34-23)27-24(30)20(28-29)15-18-10-7-6-8-11-18/h6-8,10-13,16-17H,3-5,9,14-15H2,1-2H3/b23-17-InChIKey
KBMKJPMMFFPCKK-QJOMJCCJSA-NSynonyms
(2Z)6BENZYL2((3ETHOXY4PENTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)6benzyl2(3ethoxy4(pentyloxy)benzylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(E)6benzyl2(3ethoxy4(pentyloxy)benzylidene)2Hthiazolo(32b)(124)triazine37dione
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=O)C(=N3)CC4=CC=CC=C4)S2)OCC
CCCCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1
InChI=1SC26H27N3O4Sc1359143321131219(1622(21)3242)172325(31)2926(3423)2724(30)20(2829)1518107681118h6810131617H3591415H212H3b2317
MFCD04513789
ZINC000026534123
ZINC26534123
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