Vitas-M small molecule compound
ethyl 2-[(2-methylpropyl)amino]-4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)methyl]-1,3-thiazole-5-carboxylate
Catalog ID
STL411722
SMILES CCOC(=O)c1sc(nc1CSc1nnc2c(n1)[nH]c1c2cccc1)NCC(C)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 C20H22N6O2S2 MW 442.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O2S2/c1-4-28-18(27)16-14(23-19(30-16)21-9-11(2)3)10-29-20-24-17-15(25-26-20)12-7-5-6-8-13(12)22-17/h5-8,11H,4,9-10H2,1-3H3,(H,21,23)(H,22,24,26)InChIKey
FLEMPVLQZGFRQR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)NCC(C)C)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2
CCOC(=O)c1sc(nc1CSc1nnc2c(n1)(nH)c1c2cccc1)NCC(C)C
ethyl2((2methylpropyl)amino)4((5H(124)triazino(56b)indol3ylsulfanyl)methyl)13thiazole5carboxylate
ethyl2(2methylpropylamino)4(5H(124)triazino(56b)indol3ylsulfanylmethyl)13thiazole5carboxylate
InChI=1SC20H22N6O2S2c142818(27)1614(2319(3016)21911(2)3)102920241715(252620)12756813(12)2217h5811H4910H213H3(H2123)(H222426)
MFCD28165842
ZINC000223244202
ZINC223244202
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