Vitas-M small molecule compound
N-(2-hydroxy-4-nitrophenyl)-2-{[5-(morpholin-4-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL376653
SMILES O=C(Nc1ccc(cc1O)[N+](=O)[O-])CSc1nnc(n1c1ccccc1)CN1CCOCC1
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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 C21H22N6O5S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O5S/c28-18-12-16(27(30)31)6-7-17(18)22-20(29)14-33-21-24-23-19(13-25-8-10-32-11-9-25)26(21)15-4-2-1-3-5-15/h1-7,12,28H,8-11,13-14H2,(H,22,29)InChIKey
HJMFNYHJPZYNLB-UHFFFAOYSA-NSynonyms
C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=C(C=C4)(N+)(=O)(O))O
InChI=1SC21H22N6O5Sc28181216(27(30)31)6717(18)2220(29)143321242319(13258103211925)26(21)154213515h171228H8111314H2(H2229)
MFCD06629097
N(2HYDROXY4NITROPHENYL)2((5(MORPHOLIN4YLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2hydroxy4nitrophenyl)2((5(morpholin4ylmethyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
O=C(Nc1ccc(cc1O)(N+)(=O)(O))CSc1nnc(n1c1ccccc1)CN1CCOCC1
ZINC000019799489
ZINC19799489
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