Vitas-M small molecule compound
2-{2-(1,3-benzothiazol-2-yl)-4-methyl-5-[3-(morpholin-4-yl)propyl]-3,6-dioxo-2,3,5,6-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}-N-phenylacetamide
Catalog ID
STK262467
SMILES O=C(Cn1n(c2nc3c(s2)cccc3)c(=O)c2c1cc(=O)n(c2C)CCCN1CCOCC1)Nc1ccccc1
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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 C29H30N6O4S MW 558.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N6O4S/c1-20-27-23(18-26(37)33(20)13-7-12-32-14-16-39-17-15-32)34(19-25(36)30-21-8-3-2-4-9-21)35(28(27)38)29-31-22-10-5-6-11-24(22)40-29/h2-6,8-11,18H,7,12-17,19H2,1H3,(H,30,36)InChIKey
YZOMITXTWNHCQD-UHFFFAOYSA-NSynonyms
2(2(13benzothiazol2yl)4methyl5(3(morpholin4yl)propyl)36dioxo2356tetrahydro1Hpyrazolo(43c)pyridin1yl)Nphenylacetamide
2(2(13benzothiazol2yl)4methyl5(3morpholin4ylpropyl)36dioxopyrazolo(43c)pyridin1yl)Nphenylacetamide
2(2BENZOTHIAZOL2YL4METHYL5(3MORPHOLIN4YLPROPYL)36DIOXO(5HYDRO3PYRAZOLINO(43C)PYRIDINYL))NPHENYLACETAMIDE
CC1=C2C(=CC(=O)N1CCCN3CCOCC3)N(N(C2=O)C4=NC5=CC=CC=C5S4)CC(=O)NC6=CC=CC=C6
InChI=1SC29H30N6O4Sc1202723(1826(37)33(20)1371232141639171532)34(1925(36)30218324921)35(28(27)38)29312210561124(22)4029h2681118H7121719H21H3(H3036)
MFCD07626798
ZINC000097948226
ZINC97948226
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