Vitas-M small molecule compound
2-{[5-(1H-benzotriazol-1-ylmethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-nitrothiophen-2-yl)methylidene]acetohydrazide
Catalog ID
STL171318
SMILES C=CCn1c(SCC(=O)N/N=C/c2ccc(s2)[N+](=O)[O-])nnc1Cn1nnc2c1cccc2
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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 C19H17N9O3S2 MW 483.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N9O3S2/c1-2-9-26-16(11-27-15-6-4-3-5-14(15)21-25-27)22-24-19(26)32-12-17(29)23-20-10-13-7-8-18(33-13)28(30)31/h2-8,10H,1,9,11-12H2,(H,23,29)/b20-10+InChIKey
UAGAALKUOMJSBR-KEBDBYFISA-NSynonyms
677011-67-52((5(1Hbenzotriazol1ylmethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N((E)(5nitrothiophen2yl)methylidene)acetohydrazide
2((5(benzotriazol1ylmethyl)4prop2enyl124triazol3yl)sulfanyl)N((E)(5nitrothiophen2yl)methylideneamino)acetamide
677011675
C=CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(S2)(N+)(=O)(O))CN3C4=CC=CC=C4N=N3
C=CCn1c(SCC(=O)NN=Cc2ccc(s2)(N+)(=O)(O))nnc1Cn1nnc2c1cccc2
InChI=1SC19H17N9O3S2c1292616(112715643514(15)212527)222419(26)321217(29)232010137818(3313)28(30)31h2810H191112H2(H2329)b2010+
MFCD01437817
ZINC000002744769
ZINC4510686
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