Vitas-M small molecule compound
N-(3-nitrophenyl)-2-(9H-xanthen-9-ylcarbonyl)hydrazinecarbothioamide
Catalog ID
STK455264
SMILES S=C(Nc1cccc(c1)[N+](=O)[O-])NNC(=O)C1c2ccccc2Oc2c1cccc2
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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 C21H16N4O4S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O4S/c26-20(23-24-21(30)22-13-6-5-7-14(12-13)25(27)28)19-15-8-1-3-10-17(15)29-18-11-4-2-9-16(18)19/h1-12,19H,(H,23,26)(H2,22,24,30)InChIKey
ILAIUBBJQJLCGL-UHFFFAOYSA-NSynonyms
1(3NITROPHENYL)3(9HXANTHENE9CARBONYLAMINO)THIOUREA
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NNC(=S)NC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H16N4O4Sc2620(232421(30)221365714(1213)25(27)28)19158131017(15)29181142916(18)19h11219H(H2326)(H2222430)
MFCD04227005
N((((3NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)XANTHEN9YLCARBOXAMIDE
N(3nitrophenyl)2(9Hxanthen9ylcarbonyl)hydrazinecarbothioamide
S=C(Nc1cccc(c1)(N+)(=O)(O))NNC(=O)C1c2ccccc2Oc2c1cccc2
ZINC000002853507
ZINC02853507
ZINC2853507
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