Vitas-M small molecule compound

N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-nitrobenzamide

Catalog ID
STK065611
SMILES S=C(Nc1ccc2c3c1cccc3CC2)NC(=O)c1ccc(cc1)[N+](=O)[O-]

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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 C20H15N3O3S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O3S/c24-19(14-6-9-15(10-7-14)23(25)26)22-20(27)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H2,21,22,24,27)
InChIKey
VVWKEAUFTHMUPG-UHFFFAOYSA-N
Synonyms

1ACENAPHTHEN5YL3(4NITROBENZOYL)THIOUREA
C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H15N3O3Sc2419(146915(10714)23(25)26)2220(27)211711813541221316(17)18(12)13h13611H45H2(H221222427)
MFCD02314473
N((ACENAPHTHEN5YLAMINO)THIOXOMETHYL)(4NITROPHENYL)CARBOXAMIDE
N(12DIHYDROACENAPHTHYLEN5YLCARBAMOTHIOYL)4NITROBENZAMIDE
S=C(Nc1ccc2c3c1cccc3CC2)NC(=O)c1ccc(cc1)(N+)(=O)(O)
STK065611
ZINC000000878033
ZINC00878033
ZINC878033

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Available files

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