Vitas-M small molecule compound
3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-5-(4-nitrobenzyl)-4-phenyl-4H-1,2,4-triazole
Catalog ID
STK736973
SMILES Cc1scc(n1)CSc1nnc(n1c1ccccc1)Cc1ccc(cc1)[N+](=O)[O-]
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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 C20H17N5O2S2 MW 423.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O2S2/c1-14-21-16(12-28-14)13-29-20-23-22-19(24(20)17-5-3-2-4-6-17)11-15-7-9-18(10-8-15)25(26)27/h2-10,12H,11,13H2,1H3InChIKey
YVPNLEHKACMRHO-UHFFFAOYSA-NSynonyms
2METHYL4((5((4NITROPHENYL)METHYL)4PHENYL124TRIAZOL3YL)SULFANYLMETHYL)13THIAZOLE
3(((2methyl13thiazol4yl)methyl)sulfanyl)5(4nitrobenzyl)4phenyl4H124triazole
CC1=NC(=CS1)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=C(C=C4)(N+)(=O)(O)
Cc1scc(n1)CSc1nnc(n1c1ccccc1)Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H17N5O2S2c1142116(122814)132920232219(24(20)175324617)11157918(10815)25(26)27h21012H1113H21H3
MFCD05258091
ZINC000001422658
ZINC01422658
ZINC1422658
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