Vitas-M small molecule compound

2-chloro-N-{2-methyl-1-[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]propyl}benzamide

Catalog ID
STL137009
SMILES C=CCn1c(SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])nnc1C(C(C)C)NC(=O)c1ccccc1Cl

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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 C25H27ClN6O4S MW 543.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN6O4S/c1-5-12-31-23(22(15(2)3)28-24(34)18-8-6-7-9-19(18)26)29-30-25(31)37-14-21(33)27-20-13-17(32(35)36)11-10-16(20)4/h5-11,13,15,22H,1,12,14H2,2-4H3,(H,27,33)(H,28,34)
InChIKey
RHUKWFRXLNVWIG-UHFFFAOYSA-N
Synonyms

2chloroN(2methyl1(5((2((2methyl5nitrophenyl)amino)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)propyl)benzamide
2CHLORON(2METHYL1(5(2(2METHYL5NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)PROPYL)BENZAMIDE
C=CCn1c(SCC(=O)Nc2cc(ccc2C)(N+)(=O)(O))nnc1C(C(C)C)NC(=O)c1ccccc1Cl
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2CC=C)C(C(C)C)NC(=O)C3=CC=CC=C3Cl
InChI=1SC25H27ClN6O4Sc15123123(22(15(2)3)2824(34)18867919(18)26)293025(31)371421(33)27201317(32(35)36)111016(20)4h511131522H11214H224H3(H2733)(H2834)
MFCD04378973
ZINC000059608115
ZINC000059608118

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Available files

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