Vitas-M small molecule compound
2-({5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-yl}carbonyl)-N-[3-(morpholin-4-yl)propyl]hydrazinecarbothioamide
Catalog ID
STL177447
SMILES S=C(NNC(=O)c1ccc(o1)COc1ccc(cc1[N+](=O)[O-])C)NCCCN1CCOCC1
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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 C21H27N5O6S MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O6S/c1-15-3-5-18(17(13-15)26(28)29)31-14-16-4-6-19(32-16)20(27)23-24-21(33)22-7-2-8-25-9-11-30-12-10-25/h3-6,13H,2,7-12,14H2,1H3,(H,23,27)(H2,22,24,33)InChIKey
QGVLFGXSZCNHLP-UHFFFAOYSA-NSynonyms
828296-19-11((5((4METHYL2NITROPHENOXY)METHYL)FURAN2CARBONYL)AMINO)3(3MORPHOLIN4YLPROPYL)THIOUREA
2((5((4methyl2nitrophenoxy)methyl)furan2yl)carbonyl)N(3(morpholin4yl)propyl)hydrazinecarbothioamide
828296191
CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=S)NCCCN3CCOCC3)(N+)(=O)(O)
InChI=1SC21H27N5O6Sc1153518(17(1315)26(28)29)3114164619(3216)20(27)232421(33)227282591130121025h3613H271214H21H3(H2327)(H2222433)
MFCD04131524
S=C(NNC(=O)c1ccc(o1)COc1ccc(cc1(N+)(=O)(O))C)NCCCN1CCOCC1
ZINC000033522470
ZINC33522470
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