Vitas-M small molecule compound
N-[(2Z)-5-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK930912
SMILES CCCCc1n[nH]/c(=N/C(=O)C2c3ccccc3C(=O)N(C2c2ccc(cc2)OC)C)/s1
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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/c1-4-5-10-19-26-27-24(32-19)25-22(29)20-17-8-6-7-9-18(17)23(30)28(2)21(20)15-11-13-16(31-3)14-12-15/h6-9,11-14,20-21H,4-5,10H2,1-3H3,(H,25,27,29)InChIKey
CLQKYXRVSLMOIY-UHFFFAOYSA-NSynonyms
1190245-92-11190245921
CCCCC1=NN=C(S1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC
CCCCc1n(nH)c(=NC(=O)C2c3ccccc3C(=O)N(C2c2ccc(cc2)OC)C)s1
InChI=1SC24H26N4O3Sc1451019262724(3219)2522(29)2017867918(17)23(30)28(2)21(20)15111316(313)141215h6911142021H4510H213H3(H252729)
MFCD18176784
N((2Z)5butyl134thiadiazol2(3H)ylidene)3(4methoxyphenyl)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
N(5butyl134thiadiazol2yl)3(4methoxyphenyl)2methyl1oxo34dihydroisoquinoline4carboxamide
ZINC000036357973
ZINC000036357976
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