Vitas-M small molecule compound

N-{[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]carbonothioyl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Catalog ID
STK776704
SMILES S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1ccc2c(c1)OCO2

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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 C20H16N4O5S MW 424.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O5S/c1-11-16(17(24-29-11)12-5-3-2-4-6-12)19(26)21-20(30)23-22-18(25)13-7-8-14-15(9-13)28-10-27-14/h2-9H,10H2,1H3,(H,22,25)(H2,21,23,26,30)
InChIKey
UCXDJMGBEPMIGW-UHFFFAOYSA-N
Synonyms
695205-74-4
695205744
CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H16N4O5Sc11116(17(242911)125324612)19(26)2120(30)232218(25)13781415(913)28102714h29H10H21H3(H2225)(H221232630)
MFCD03690841
N((13BENZODIOXOLE5CARBONYLAMINO)CARBAMOTHIOYL)5METHYL3PHENYL12OXAZOLE4CARBOXAMIDE
N((2(13benzodioxol5ylcarbonyl)hydrazinyl)carbonothioyl)5methyl3phenyl12oxazole4carboxamide
N((2(13BENZODIOXOL5YLCARBONYL)HYDRAZINYL)CARBOTHIOYL)5METHYL3PHENYL12OXAZOLE4CARBOXAMIDE
N(2(benzo(d)(13)dioxole5carbonyl)hydrazinecarbonothioyl)5methyl3phenylisoxazole4carboxamide
ZINC000002251907
ZINC02251907
ZINC2251907

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Available files

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