Vitas-M small molecule compound
N-[(2Z)-5-tert-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK933821
SMILES COc1ccc(cc1OC)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 C25H28N4O4S MW 480.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O4S/c1-25(2,3)23-27-28-24(34-23)26-21(30)19-15-9-7-8-10-16(15)22(31)29(4)20(19)14-11-12-17(32-5)18(13-14)33-6/h7-13,19-20H,1-6H3,(H,26,28,30)InChIKey
MUWMHFMXVAHEQH-UHFFFAOYSA-NSynonyms
1219543-92-61219543926
CC(C)(C)C1=NN=C(S1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC(=C(C=C4)OC)OC
COc1ccc(cc1OC)C1N(C)C(=O)c2c(C1C(=O)N=c1(nH)nc(s1)C(C)(C)C)cccc2
InChI=1SC25H28N4O4Sc125(23)23272824(3423)2621(30)19159781016(15)22(31)29(4)20(19)14111217(325)18(1314)336h7131920H16H3(H262830)
MFCD18177614
N((2Z)5tertbutyl134thiadiazol2(3H)ylidene)3(34dimethoxyphenyl)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
N(5tertbutyl134thiadiazol2yl)3(34dimethoxyphenyl)2methyl1oxo34dihydroisoquinoline4carboxamide
ZINC000040285367
ZINC000040285372
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