Vitas-M small molecule compound
(5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-(3-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800076
SMILES Cc1ccc(cc1)/C=C/c1nc2n(n1)c(=O)/c(=C/c1cccc(c1)[N+](=O)[O-])/s2
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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 C20H14N4O3S MW 390.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O3S/c1-13-5-7-14(8-6-13)9-10-18-21-20-23(22-18)19(25)17(28-20)12-15-3-2-4-16(11-15)24(26)27/h2-12H,1H3/b10-9+,17-12-InChIKey
OEKTTWCZHOQSGG-LWINHUFBSA-NSynonyms
(5Z)2((E)2(4methylphenyl)ethenyl)5((3nitrophenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2((E)2(4methylphenyl)ethenyl)5(3nitrobenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CC1=CC=C(C=C1)C=CC2=NN3C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))SC3=N2
Cc1ccc(cc1)C=Cc1nc2n(n1)c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s2
InChI=1SC20H14N4O3Sc1135714(8613)91018212023(2218)19(25)17(2820)121532416(1115)24(26)27h212H1H3b109+1712
MFCD04447046
ZINC000016735434
ZINC16735434
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