Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-N-(4-bromophenyl)-5-methyl-6-[3-(morpholin-4-yl)propyl]-4,7-dioxo-1,2,3,4,6,7-hexahydropyrido[3,4-d]pyridazine-1-carboxamide
Catalog ID
STK262208
SMILES Brc1ccc(cc1)NC(=O)C1NN(c2nc3c(s2)cccc3)C(=O)c2c1cc(=O)n(c2C)CCCN1CCOCC1
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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 C29H29BrN6O4S MW 637.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN6O4S/c1-18-25-21(17-24(37)35(18)12-4-11-34-13-15-40-16-14-34)26(27(38)31-20-9-7-19(30)8-10-20)33-36(28(25)39)29-32-22-5-2-3-6-23(22)41-29/h2-3,5-10,17,26,33H,4,11-16H2,1H3,(H,31,38)InChIKey
RFLJZELNSRQVNX-UHFFFAOYSA-NSynonyms
3(13benzothiazol2yl)N(4bromophenyl)5methyl6(3(morpholin4yl)propyl)47dioxo123467hexahydropyrido(34d)pyridazine1carboxamide
3(13benzothiazol2yl)N(4bromophenyl)5methyl6(3morpholin4ylpropyl)47dioxo12dihydropyrido(34d)pyridazine1carboxamide
CC1=C2C(=CC(=O)N1CCCN3CCOCC3)C(NN(C2=O)C4=NC5=CC=CC=C5S4)C(=O)NC6=CC=C(C=C6)Br
InChI=1SC29H29BrN6O4Sc1182521(1724(37)35(18)1241134131540161434)26(27(38)31209719(30)81020)3336(28(25)39)293222523623(22)4129h23510172633H41116H21H3(H3138)
MFCD08547538
ZINC000098042793
ZINC000098042794
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