Vitas-M small molecule compound
3-methyl-N-[1-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK139880
SMILES Cc1cccc(c1)C(=O)NC(c1nnc(n1C)SCC(=O)N1CCN(CC1)c1ccccc1)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 C25H30N6O2S MW 478.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N6O2S/c1-18-8-7-9-20(16-18)24(33)26-19(2)23-27-28-25(29(23)3)34-17-22(32)31-14-12-30(13-15-31)21-10-5-4-6-11-21/h4-11,16,19H,12-15,17H2,1-3H3,(H,26,33)InChIKey
NJSWEHZOXQFCLR-UHFFFAOYSA-NSynonyms
3METHYLN(1(4METHYL5((2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
3METHYLN(1(4METHYL5(2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NC(C)C2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC25H30N6O2Sc11887920(1618)24(33)2619(2)23272825(29(23)3)341722(32)31141230(131531)21105461121h4111619H121517H213H3(H2633)
MFCD06124805
ZINC000008767283
ZINC000008767288
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