Vitas-M small molecule compound
N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
Catalog ID
STK120181
SMILES O=C(CSc1nnc(n1C)CNC(=O)c1cccc(c1)C)NCc1ccccc1
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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 C21H23N5O2S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S/c1-15-7-6-10-17(11-15)20(28)23-13-18-24-25-21(26(18)2)29-14-19(27)22-12-16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,22,27)(H,23,28)InChIKey
LPBCVAKRZFMJMO-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NCC3=CC=CC=C3
InChI=1SC21H23N5O2Sc115761017(1115)20(28)231318242521(26(18)2)291419(27)2212168435916h311H1214H212H3(H2227)(H2328)
MFCD03720445
N((5((2(BENZYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(BENZYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
ZINC000004691554
ZINC04691554
ZINC4691554
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