Vitas-M small molecule compound
methyl 2-({[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-5-phenylthiophene-3-carboxylate
Catalog ID
STK438685
SMILES COC(=O)c1cc(sc1NC(=S)NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1
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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 C21H17N3O5S2 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S2/c1-27-20(26)14-10-17(12-5-3-2-4-6-12)31-19(14)22-21(30)24-23-18(25)13-7-8-15-16(9-13)29-11-28-15/h2-10H,11H2,1H3,(H,23,25)(H2,22,24,30)InChIKey
MCCDSHKRABNFBY-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H17N3O5S2c12720(26)141017(125324612)3119(14)2221(30)242318(25)13781516(913)29112815h210H11H21H3(H2325)(H2222430)
METHYL2((((2HBENZO(34D)13DIOXOLAN5YLCARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
methyl2(((2(13benzodioxol5ylcarbonyl)hydrazinyl)carbonothioyl)amino)5phenylthiophene3carboxylate
METHYL2((13BENZODIOXOLE5CARBONYLAMINO)CARBAMOTHIOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD03945630
ZINC000002854015
ZINC02854015
ZINC2854015
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