Vitas-M small molecule compound

1-[(E)-amino{[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]amino}methylidene]-3-(4-fluorophenyl)urea

Catalog ID
STK042640
SMILES Fc1ccc(cc1)NC(=O)/N=C(/N=c/1\sc2ccccc2c(=O)[nH]1)\N

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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 C16H12FN5O2S MW 357.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12FN5O2S/c17-9-5-7-10(8-6-9)19-15(24)21-14(18)22-16-20-13(23)11-3-1-2-4-12(11)25-16/h1-8H,(H4,18,19,20,21,22,23,24)
InChIKey
OFNLMENBQFYJDN-UHFFFAOYSA-N
Synonyms

(2E)3AMINON(4FLUOROPHENYL)4(4OXO(3HBENZO(E)13THIAZIN2YLIDENE))24DIAZABUT2ENAMIDE
(E)1(amino((Z)(4oxo34dihydro2Hbenzo(e)(13)thiazin2ylidene)amino)methylene)3(4fluorophenyl)urea
1((E)AMINO(((2Z)4OXO34DIHYDRO2H13BENZOTHIAZIN2YLIDENE)AMINO)METHYLIDENE)3(4FLUOROPHENYL)UREA
1(4fluorophenyl)3((E)N(4oxo13benzothiazin2yl)carbamimidoyl)urea
1(4FLUOROPHENYL)3(N(4OXO13BENZOTHIAZIN2YL)CARBAMIMIDOYL)UREA
C1=CC=C2C(=C1)C(=O)N=C(S2)N=C(N)NC(=O)NC3=CC=C(C=C3)F
Fc1ccc(cc1)NC(=O)N=C(N=c1sc2ccccc2c(=O)(nH)1)N
InChI=1SC16H12FN5O2Sc1795710(869)1915(24)2114(18)22162013(23)11312412(11)2516h18H(H418192021222324)
MFCD02241068
STK042640
ZINC000002298720
ZINC2298720

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Available files

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