Vitas-M small molecule compound
(4E)-6-[(4-ethoxy-2-nitrophenyl)amino]-2-(ethylamino)-4-(ethylimino)-6,7-dihydro-4H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-ol
Catalog ID
STL112226
SMILES CCNc1nc2SCC(n2/c(=N/CC)/n1)(O)Nc1ccc(cc1[N+](=O)[O-])OCC
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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 C17H23N7O4S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N7O4S/c1-4-18-14-20-15(19-5-2)23-16(21-14)29-10-17(23,25)22-12-8-7-11(28-6-3)9-13(12)24(26)27/h7-9,22,25H,4-6,10H2,1-3H3,(H,18,19,20)InChIKey
LZQIXOQCLNRBEV-UHFFFAOYSA-NSynonyms
(4E)6((4ethoxy2nitrophenyl)amino)2(ethylamino)4(ethylimino)67dihydro4H(13)thiazolo(32a)(135)triazin6ol
6(4ethoxy2nitroanilino)2(ethylamino)4ethylimino7H(13)thiazolo(32a)(135)triazin6ol
CCNC1=NC(=NCC)N2C(=N1)SCC2(NC3=C(C=C(C=C3)OCC)(N+)(=O)(O))O
CCNc1nc2SCC(n2c(=NCC)n1)(O)Nc1ccc(cc1(N+)(=O)(O))OCC
InChI=1SC17H23N7O4Sc1418142015(1952)2316(2114)291017(2325)22128711(2863)913(12)24(26)27h792225H4610H213H3(H181920)
MFCD20746900
ZINC000102916242
ZINC000102916244
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