Vitas-M small molecule compound
(2E)-2-[3-ethoxy-4-(pentyloxy)benzylidene]-6-methyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK812630
SMILES CCCCCOc1ccc(cc1OCC)/C=c\1/sc2n(c1=O)nc(c(=O)n2)C
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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 C20H23N3O4S MW 401.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O4S/c1-4-6-7-10-27-15-9-8-14(11-16(15)26-5-2)12-17-19(25)23-20(28-17)21-18(24)13(3)22-23/h8-9,11-12H,4-7,10H2,1-3H3/b17-12+InChIKey
IPTIOYIGDVSXSK-SFQUDFHCSA-NSynonyms
616211-04-2(2E)2((3ETHOXY4PENTOXYPHENYL)METHYLIDENE)6METHYL(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2E)2(3ethoxy4(pentyloxy)benzylidene)6methyl7H(13)thiazolo(32b)(124)triazine37(2H)dione
(E)2(3ethoxy4(pentyloxy)benzylidene)6methyl2Hthiazolo(32b)(124)triazine37dione
616211042
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=O)C(=N3)C)S2)OCC
CCCCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(c(=O)n2)C
InChI=1SC20H23N3O4Sc14671027159814(1116(15)2652)121719(25)2320(2817)2118(24)13(3)2223h891112H4710H213H3b1712+
MFCD03666468
ZINC000004994477
ZINC04994477
ZINC4994477
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