Vitas-M small molecule compound
2-[(5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
Catalog ID
STL368409
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nnc([nH]1)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 C18H17N5O4S MW 399.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O4S/c1-27-13-7-8-14(15(10-13)23(25)26)19-17(24)11-28-18-20-16(21-22-18)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,19,24)(H,20,21,22)InChIKey
FXPKVWIPBQHTNL-UHFFFAOYSA-NSynonyms
2((5BENZYL1H124TRIAZOL3YL)SULFANYL)N(4METHOXY2NITROPHENYL)ACETAMIDE
2((5benzyl4H124triazol3yl)sulfanyl)N(4methoxy2nitrophenyl)acetamide
COC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nnc((nH)1)Cc1ccccc1
InChI=1SC18H17N5O4Sc127137814(15(1013)23(25)26)1917(24)1128182016(212218)9125324612h2810H911H21H3(H1924)(H202122)
MFCD05842193
ZINC000004831934
ZINC04831934
ZINC4831934
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