Vitas-M small molecule compound
N-[2-(5-{[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-4-methoxybenzamide
Catalog ID
STL419574
SMILES COc1ccc(cc1)C(=O)NCCc1nnc(n1C)SC(C(=O)NC1CCCCC1)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 C22H31N5O3S MW 445.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O3S/c1-15(20(28)24-17-7-5-4-6-8-17)31-22-26-25-19(27(22)2)13-14-23-21(29)16-9-11-18(30-3)12-10-16/h9-12,15,17H,4-8,13-14H2,1-3H3,(H,23,29)(H,24,28)InChIKey
PBGFHWODXMNLLE-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C)CCNC(=O)C3=CC=C(C=C3)OC
InChI=1SC22H31N5O3Sc115(20(28)24177546817)3122262519(27(22)2)13142321(29)1691118(303)121016h9121517H481314H213H3(H2329)(H2428)
MFCD30707344
N(2(5((1(cyclohexylamino)1oxopropan2yl)sulfanyl)4methyl4H124triazol3yl)ethyl)4methoxybenzamide
N(2(5(1(cyclohexylamino)1oxopropan2yl)sulfanyl4methyl124triazol3yl)ethyl)4methoxybenzamide
ZINC000009505857
ZINC000009505859
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