Vitas-M small molecule compound
2-{[5-(3-methylphenyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Catalog ID
STK245950
SMILES CC(Cn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1c1cccc(c1)C)C
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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 C21H23N5O3S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S/c1-14(2)12-25-20(16-7-4-6-15(3)10-16)23-24-21(25)30-13-19(27)22-17-8-5-9-18(11-17)26(28)29/h4-11,14H,12-13H2,1-3H3,(H,22,27)InChIKey
DGCMLUMYAVHXPF-UHFFFAOYSA-NSynonyms
2((5(3methylphenyl)4(2methylpropyl)124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2((5(3METHYLPHENYL)4(2METHYLPROPYL)4H124TRIAZOL3YL)SULFANYL)N(3NITROPHENYL)ACETAMIDE
2(4ISOBUTYL5MTOLYL4H(124)TRIAZOL3YLSULFANYL)N(3NITROPHENYL)ACETAMIDE
CC(Cn1c(SCC(=O)Nc2cccc(c2)(N+)(=O)(O))nnc1c1cccc(c1)C)C
CC1=CC=CC(=C1)C2=NN=C(N2CC(C)C)SCC(=O)NC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H23N5O3Sc114(2)122520(1674615(3)1016)232421(25)301319(27)221785918(1117)26(28)29h41114H1213H213H3(H2227)
MFCD08670778
ZINC000009328516
ZINC09328516
ZINC9328516
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