Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(5-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL319092
SMILES Cc1ccc(s1)/C=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N

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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 C18H14N8O4S MW 438.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N8O4S/c1-9-2-4-11(31-9)7-20-22-18(27)14-15(10-3-5-12-13(6-10)29-8-28-12)26(25-21-14)17-16(19)23-30-24-17/h2-7H,8H2,1H3,(H2,19,23)(H,22,27)/b20-7+
InChIKey
YMZGYSUDWBXNFP-IFRROFPPSA-N
Synonyms
862104-30-1
(E)1(4amino125oxadiazol3yl)5(benzo(d)(13)dioxol5yl)N((5methylthiophen2yl)methylene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((E)(5methylthiophen2yl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((E)(5methylthiophen2yl)methylideneamino)triazole4carboxamide
862104301
CC1=CC=C(S1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5
Cc1ccc(s1)C=NNC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N
InChI=1SC18H14N8O4Sc192411(319)7202218(27)1415(10351213(610)2982812)26(252114)1716(19)23302417h27H8H21H3(H21923)(H2227)b207+
MFCD05686624
ZINC000009497599
ZINC15895148

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Available files

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