Vitas-M small molecule compound
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STK759935
SMILES CCOC(=O)c1nnn(c1CSc1nnc2c(n1)n(CC=C)c1c2cccc1)c1nonc1N
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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 C20H18N10O3S MW 478.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N10O3S/c1-3-9-29-12-8-6-5-7-11(12)14-17(29)22-20(25-23-14)34-10-13-15(19(31)32-4-2)24-28-30(13)18-16(21)26-33-27-18/h3,5-8H,1,4,9-10H2,2H3,(H2,21,26)InChIKey
KAGCAMUWMKBBDV-UHFFFAOYSA-NSynonyms
312519-25-8312519258
CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC4=C(C5=CC=CC=C5N4CC=C)N=N3
ETHYL1(4AMINO(125OXADIAZOL3YL))5((5PROP2ENYL(124TRIAZINO(56B)INDOL3YLTHIO))METHYL)123TRIAZOLE4CARBOXYLATE
ethyl1(4amino125oxadiazol3yl)5(((5(prop2en1yl)5H(124)triazino(56b)indol3yl)sulfanyl)methyl)1H123triazole4carboxylate
ETHYL1(4AMINO125OXADIAZOL3YL)5((5PROP2ENYL(124)TRIAZINO(56B)INDOL3YL)SULFANYLMETHYL)TRIAZOLE4CARBOXYLATE
ETHYL5(((5ALLYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)METHYL)1(4AMINO125OXADIAZOL3YL)1H123TRIAZOLE4CARBOXYLATE
InChI=1SC20H18N10O3Sc1392912865711(12)1417(29)2220(252314)34101315(19(31)3242)242830(13)1816(21)26332718h358H14910H22H3(H22126)
MFCD02110111
ZINC000002192199
ZINC02192199
ZINC2192199
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