Vitas-M small molecule compound
N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
Catalog ID
STK211491
SMILES O=C(NC1CCCCC1)CSc1nnc(n1c1ccccc1)CNC(=O)c1cccc(c1)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 C25H29N5O2S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O2S/c1-18-9-8-10-19(15-18)24(32)26-16-22-28-29-25(30(22)21-13-6-3-7-14-21)33-17-23(31)27-20-11-4-2-5-12-20/h3,6-10,13-15,20H,2,4-5,11-12,16-17H2,1H3,(H,26,32)(H,27,31)InChIKey
PAUVDPMLNHBRAM-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4CCCCC4
InChI=1SC25H29N5O2Sc118981019(1518)24(32)261622282925(30(22)21136371421)331723(31)2720114251220h3610131520H24511121617H21H3(H2632)(H2731)
MFCD04381682
N((5((2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4PHENYL4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(cyclohexylamino)2oxoethyl)sulfanyl4phenyl124triazol3yl)methyl)3methylbenzamide
N(5CYCLOHEXYLCARBAMOYLMETHYLSULFANYL4PHENYL4H(124)TRIAZOL3YLMETHYL)3METHYLBENZAMIDE
ZINC000009261032
ZINC09261032
ZINC9261032
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