Vitas-M small molecule compound
2-{[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-3-methylphenyl)acetamide
Catalog ID
STK245469
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)C)Br)nnc1Cc1ccccc1
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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 C21H21BrN4OS MW 457.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4OS/c1-3-11-26-19(13-16-7-5-4-6-8-16)24-25-21(26)28-14-20(27)23-17-9-10-18(22)15(2)12-17/h3-10,12H,1,11,13-14H2,2H3,(H,23,27)InChIKey
FFLGCRAQVHAPQX-UHFFFAOYSA-NSynonyms
2((5BENZYL4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(4BROMO3METHYLPHENYL)ACETAMIDE
2((5BENZYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(4BROMO3METHYLPHENYL)ACETAMIDE
2(4ALLYL5BENZYL4H(124)TRIAZOL3YLSULFANYL)N(4BROMO3METHYLPHENYL)ACETAMIDE
CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CC=C3)Br
InChI=1SC21H21BrN4OSc13112619(13167546816)242521(26)281420(27)231791018(22)15(2)1217h31012H1111314H22H3(H2327)
MFCD08670016
ZINC000009306083
ZINC09306083
ZINC9306083
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