Vitas-M small molecule compound
N-{(E)-[5-(3-chlorophenyl)furan-2-yl]methylidene}-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL391088
SMILES Clc1cccc(c1)c1ccc(o1)/C=N/n1c(C)nnc1SCn1nc(c(c1C)[N+](=O)[O-])C
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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 C20H18ClN7O3S MW 471.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN7O3S/c1-12-19(28(29)30)13(2)26(25-12)11-32-20-24-23-14(3)27(20)22-10-17-7-8-18(31-17)15-5-4-6-16(21)9-15/h4-10H,11H2,1-3H3/b22-10+InChIKey
GBYQMSSLFFNACK-LSHDLFTRSA-NSynonyms
1005614-17-4(E)1(5(3chlorophenyl)furan2yl)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)methanimine
1005614174
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC=C(O3)C4=CC(=CC=C4)Cl)C)C)(N+)(=O)(O)
Clc1cccc(c1)c1ccc(o1)C=Nn1c(C)nnc1SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC20H18ClN7O3Sc11219(28(29)30)13(2)26(2512)113220242314(3)27(20)2210177818(3117)1554616(21)915h410H11H213H3b2210+
MFCD04140969
N((E)(5(3chlorophenyl)furan2yl)methylidene)3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)5methyl4H124triazol4amine
ZINC000002732347
ZINC4510563
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