Vitas-M small molecule compound
2-{[5-benzyl-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide
Catalog ID
STL380823
SMILES COc1ccc(cc1)CNC(=O)CSc1nnc(n1c1ccc(c(c1)C)C)Cc1ccccc1
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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 C27H28N4O2S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S/c1-19-9-12-23(15-20(19)2)31-25(16-21-7-5-4-6-8-21)29-30-27(31)34-18-26(32)28-17-22-10-13-24(33-3)14-11-22/h4-15H,16-18H2,1-3H3,(H,28,32)InChIKey
KRZQCGZXCNNWCU-UHFFFAOYSA-NSynonyms
2((5BENZYL4(34DIMETHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((4METHOXYPHENYL)METHYL)ACETAMIDE
2((5benzyl4(34dimethylphenyl)4H124triazol3yl)sulfanyl)N(4methoxybenzyl)acetamide
CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=C(C=C3)OC)CC4=CC=CC=C4)C
InChI=1SC27H28N4O2Sc11991223(1520(19)2)3125(16217546821)293027(31)341826(32)281722101324(333)141122h415H1618H213H3(H2832)
MFCD05987537
ZINC000001112646
ZINC01112646
ZINC1112646
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