Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK932836
SMILES O=C(C1C(c2ccc3c(c2)OCO3)N(C)C(=O)c2c1cccc2)Nc1nccs1
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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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c1-24-18(12-6-7-15-16(10-12)28-11-27-15)17(19(25)23-21-22-8-9-29-21)13-4-2-3-5-14(13)20(24)26/h2-10,17-18H,11H2,1H3,(H,22,23,25)InChIKey
AKDPOMNPYIUITJ-UHFFFAOYSA-NSynonyms
1219575-29-71219575297
3(13benzodioxol5yl)2methyl1oxoN(13thiazol2yl)1234tetrahydroisoquinoline4carboxamide
3(13benzodioxol5yl)2methyl1oxoN(13thiazol2yl)34dihydroisoquinoline4carboxamide
3(benzo(d)(13)dioxol5yl)2methyl1oxoN(thiazol2yl)1234tetrahydroisoquinoline4carboxamide
CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NC=CS3)C4=CC5=C(C=C4)OCO5
InChI=1SC21H17N3O4Sc12418(12671516(1012)28112715)17(19(25)232122892921)13423514(13)20(24)26h2101718H11H21H3(H222325)
MFCD16625337
ZINC000040284055
ZINC000040284061
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