Vitas-M small molecule compound
1-(morpholin-4-yl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK133850
SMILES O=C(N1CCOCC1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
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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 C20H19N5O4S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S/c26-18(23-10-12-29-13-11-23)14-30-20-22-21-19(24(20)16-4-2-1-3-5-16)15-6-8-17(9-7-15)25(27)28/h1-9H,10-14H2InChIKey
YRCPEEQRECXZCW-UHFFFAOYSA-NSynonyms
1(MORPHOLIN4YL)2((5(4NITROPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
1MORPHOLIN4YL2((5(4NITROPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H19N5O4Sc2618(23101229131123)143020222119(24(20)164213516)156817(9715)25(27)28h19H1014H2
MFCD02739213
O=C(N1CCOCC1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000000868988
ZINC00868988
ZINC868988
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