Vitas-M small molecule compound

2-(1,3-benzodioxol-5-ylcarbonyl)-N-(2-methylpropyl)hydrazinecarbothioamide

Catalog ID
STK449836
SMILES CC(CNC(=S)NNC(=O)c1ccc2c(c1)OCO2)C

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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 C13H17N3O3S MW 295.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O3S/c1-8(2)6-14-13(20)16-15-12(17)9-3-4-10-11(5-9)19-7-18-10/h3-5,8H,6-7H2,1-2H3,(H,15,17)(H2,14,16,20)
InChIKey
YKKJNWFLSHFTMC-UHFFFAOYSA-N
Synonyms

1((13BENZODIOXOL5YL(OXO)METHYL)AMINO)3(2METHYLPROPYL)THIOUREA
1(13BENZODIOXOL5YLCARBONYLAMINO)3(2METHYLPROPYL)THIOUREA
1(13BENZODIOXOLE5CARBONYLAMINO)3(2METHYLPROPYL)THIOUREA
1ISOBUTYL3(PIPERONYLOYLAMINO)THIOUREA
2(13benzodioxol5ylcarbonyl)N(2methylpropyl)hydrazinecarbothioamide
2(13BENZODIOXOL5YLCARBONYL)NISOBUTYLHYDRAZINECARBOTHIOAMIDE
2HBENZO(34D)13DIOXOLAN5YLN((((2METHYLPROPYL)AMINO)THIOXOMETHYL)AMINO)CARBOXAMIDE
CC(C)CNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2
InChI=1SC13H17N3O3Sc18(2)61413(20)161512(17)9341011(59)1971810h358H67H212H3(H1517)(H2141620)
MFCD03468237
ZINC000008828876
ZINC08828876
ZINC8828876

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.