Vitas-M small molecule compound
2-{[5-(2-ethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxy-2-nitrophenyl)acetamide
Catalog ID
STL445328
SMILES CCOc1ccccc1c1nnc(n1CC)SCC(=O)Nc1ccc(cc1[N+](=O)[O-])OC
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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 C21H23N5O5S MW 457.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O5S/c1-4-25-20(15-8-6-7-9-18(15)31-5-2)23-24-21(25)32-13-19(27)22-16-11-10-14(30-3)12-17(16)26(28)29/h6-12H,4-5,13H2,1-3H3,(H,22,27)InChIKey
CITGGISPLRPDIK-UHFFFAOYSA-NSynonyms
2((5(2ETHOXYPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N(4METHOXY2NITROPHENYL)ACETAMIDE
2((5(2ethoxyphenyl)4ethyl4H124triazol3yl)sulfanyl)N(4methoxy2nitrophenyl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)(N+)(=O)(O))C3=CC=CC=C3OCC
CCOc1ccccc1c1nnc(n1CC)SCC(=O)Nc1ccc(cc1(N+)(=O)(O))OC
InChI=1SC21H23N5O5Sc142520(15867918(15)3152)232421(25)321319(27)2216111014(303)1217(16)26(28)29h612H4513H213H3(H2227)
MFCD05842228
ZINC000014152402
ZINC14152402
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