Vitas-M small molecule compound
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
Catalog ID
STK418709
SMILES COc1ccc(cc1OC)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)N)CCCCCC2
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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 C29H29N3O4S MW 515.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O4S/c1-35-23-14-13-17(15-24(23)36-2)22-16-20(18-9-7-8-11-21(18)31-22)28(34)32-29-26(27(30)33)19-10-5-3-4-6-12-25(19)37-29/h7-9,11,13-16H,3-6,10,12H2,1-2H3,(H2,30,33)(H,32,34)InChIKey
KQTZTONSYCRYQK-UHFFFAOYSA-NSynonyms
352678-89-8352678898
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCC5)C(=O)N)OC
InChI=1SC29H29N3O4Sc13523141317(1524(23)362)221620(189781121(18)3122)28(34)322926(27(30)33)191053461225(19)3729h79111316H361012H212H3(H23033)(H3234)
MFCD01343991
N(3carbamoyl456789hexahydrocycloocta(b)thiophen2yl)2(34dimethoxyphenyl)quinoline4carboxamide
ZINC000002081874
ZINC02081874
ZINC2081874
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