Vitas-M small molecule compound

3-(1,3-benzodioxol-5-yl)-2-methyl-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

Catalog ID
STK936838
SMILES Cc1n[nH]/c(=N/C(=O)C2c3ccccc3C(=O)N(C2c2ccc3c(c2)OCO3)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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-11-23-24-21(30-11)22-19(26)17-13-5-3-4-6-14(13)20(27)25(2)18(17)12-7-8-15-16(9-12)29-10-28-15/h3-9,17-18H,10H2,1-2H3,(H,22,24,26)
InChIKey
WSAMXEFVIJPCMT-UHFFFAOYSA-N
Synonyms
1219556-57-6
1219556576
3(13benzodioxol5yl)2methylN((2Z)5methyl134thiadiazol2(3H)ylidene)1oxo1234tetrahydroisoquinoline4carboxamide
3(13benzodioxol5yl)2methylN(5methyl134thiadiazol2yl)1oxo34dihydroisoquinoline4carboxamide
CC1=NN=C(S1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC5=C(C=C4)OCO5
Cc1n(nH)c(=NC(=O)C2c3ccccc3C(=O)N(C2c2ccc3c(c2)OCO3)C)s1
InChI=1SC21H18N4O4Sc111232421(3011)2219(26)1713534614(13)20(27)25(2)18(17)12781516(912)29102815h391718H10H212H3(H222426)
MFCD18178480
ZINC000040267312
ZINC000040267315

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Available files

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