Vitas-M small molecule compound
N-[(2Z)-5-tert-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK933554
SMILES COc1ccc(cc1)C1N(C)C(=O)c2c(C1C(=O)/N=c\1/[nH]nc(s1)C(C)(C)C)cccc2
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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 C24H26N4O3S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S/c1-24(2,3)22-26-27-23(32-22)25-20(29)18-16-8-6-7-9-17(16)21(30)28(4)19(18)14-10-12-15(31-5)13-11-14/h6-13,18-19H,1-5H3,(H,25,27,29)InChIKey
XGIJQDFSHIQSHB-UHFFFAOYSA-NSynonyms
1190257-64-71190257647
CC(C)(C)C1=NN=C(S1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC
COc1ccc(cc1)C1N(C)C(=O)c2c(C1C(=O)N=c1(nH)nc(s1)C(C)(C)C)cccc2
InChI=1SC24H26N4O3Sc124(23)22262723(3222)2520(29)1816867917(16)21(30)28(4)19(18)14101215(315)131114h6131819H15H3(H252729)
MFCD18177543
N((2Z)5tertbutyl134thiadiazol2(3H)ylidene)3(4methoxyphenyl)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
N(5tertbutyl134thiadiazol2yl)3(4methoxyphenyl)2methyl1oxo34dihydroisoquinoline4carboxamide
ZINC000036364849
ZINC000036364854
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