Vitas-M small molecule compound
ethyl 6-oxo-6-{2-oxo-5-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)methyl]-2,3-dihydro-1H-imidazol-4-yl}hexanoate
Catalog ID
STK746564
SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c(n1)[nH]c1c2cccc1
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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 C21H22N6O4S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4S/c1-2-31-16(29)10-6-5-9-15(28)18-14(23-20(30)24-18)11-32-21-25-19-17(26-27-21)12-7-3-4-8-13(12)22-19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,22,25,27)(H2,23,24,30)InChIKey
BZQIVURSQDEJQM-UHFFFAOYSA-NSynonyms
CCOC(=O)CCCCC(=O)c1(nH)c(=O)(nH)c1CSc1nnc2c(n1)(nH)c1c2cccc1
CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2
ethyl6oxo6(2oxo5((5H(124)triazino(56b)indol3ylsulfanyl)methyl)23dihydro1Himidazol4yl)hexanoate
ETHYL6OXO6(2OXO5(5H(124)TRIAZINO(56B)INDOL3YLSULFANYLMETHYL)13DIHYDROIMIDAZOL4YL)HEXANOATE
InChI=1SC21H22N6O4Sc123116(29)1065915(28)1814(2320(30)2418)113221251917(262721)12734813(12)2219h3478H256911H21H3(H222527)(H2232430)
MFCD00472977
ZINC000002191259
ZINC02191259
ZINC2191259
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