Vitas-M small molecule compound
2-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Catalog ID
STK560372
SMILES O=C(CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C/c1ccccc1C(=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 C29H29N5O3S MW 527.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O3S/c1-19-9-15-23(16-10-19)34-26(20-11-13-22(14-12-20)29(2,3)4)32-33-28(34)38-18-25(35)31-30-17-21-7-5-6-8-24(21)27(36)37/h5-17H,18H2,1-4H3,(H,31,35)(H,36,37)/b30-17+InChIKey
RQZJYBWYKKPZDX-OCSSWDANSA-NSynonyms
497921-08-12((E)((2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)(2(((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoate
497921081
InChI=1SC29H29N5O3Sc11991523(161019)3426(20111322(141220)29(23)4)323328(34)381825(35)31301721756824(21)27(36)37h517H18H214H3(H3135)(H3637)b3017+
MFCD03303954
O=C(CSc1(nH+)nc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)NN=Cc1ccccc1C(=O)(O)
ZINC000002357371
ZINC4460697
Check stock
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