Vitas-M small molecule compound
2-({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)-N-[3-(morpholin-4-yl)propyl]hydrazinecarbothioamide
Catalog ID
STL400545
SMILES S=C(NNC(=O)c1ccc(cc1)Cn1nc(c(c1C)[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 C21H29N7O4S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N7O4S/c1-15-19(28(30)31)16(2)27(25-15)14-17-4-6-18(7-5-17)20(29)23-24-21(33)22-8-3-9-26-10-12-32-13-11-26/h4-7H,3,8-14H2,1-2H3,(H,23,29)(H2,22,24,33)InChIKey
XAVCMBNVBCAQEL-UHFFFAOYSA-NSynonyms
1005682-69-81((4((35dimethyl4nitropyrazol1yl)methyl)benzoyl)amino)3(3morpholin4ylpropyl)thiourea
1005682698
2((4((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)carbonyl)N(3(morpholin4yl)propyl)hydrazinecarbothioamide
CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NCCCN3CCOCC3)C)(N+)(=O)(O)
InChI=1SC21H29N7O4Sc11519(28(30)31)16(2)27(2515)14174618(7517)20(29)232421(33)2283926101232131126h47H3814H212H3(H2329)(H2222433)
MFCD04131455
S=C(NNC(=O)c1ccc(cc1)Cn1nc(c(c1C)(N+)(=O)(O))C)NCCCN1CCOCC1
ZINC000022711797
ZINC22711797
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