Vitas-M small molecule compound
3-methyl-N-{[5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK134113
SMILES C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1CNC(=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 C26H30N6O2S MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O2S/c1-3-12-32-23(18-27-25(34)21-9-7-8-20(2)17-21)28-29-26(32)35-19-24(33)31-15-13-30(14-16-31)22-10-5-4-6-11-22/h3-11,17H,1,12-16,18-19H2,2H3,(H,27,34)InChIKey
WXVBXOGGBVFGIS-UHFFFAOYSA-NSynonyms
3METHYLN((5((2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
3METHYLN((5(2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC26H30N6O2Sc13123223(182725(34)2197820(2)1721)282926(32)351924(33)31151330(141631)22105461122h31117H112161819H22H3(H2734)
MFCD04394031
N(4ALLYL5(2OXO2(4PHENYLPIPERAZIN1YL)ETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)3METHYLBENZAMIDE
ZINC000009261073
ZINC09261073
ZINC9261073
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