Vitas-M small molecule compound

(5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one

Catalog ID
STK556391
SMILES O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccccc1[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 C24H18Cl2N4O4S MW 529.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18Cl2N4O4S/c25-17-7-5-15(13-18(17)26)21-8-6-16(34-21)14-22-23(31)27-24(35-22)29-11-9-28(10-12-29)19-3-1-2-4-20(19)30(32)33/h1-8,13-14H,9-12H2/b22-14-
InChIKey
ZUYSPTJXPOQEJA-HMAPJEAMSA-N
Synonyms
573695-99-5
(5Z)5((5(34dichlorophenyl)furan2yl)methylidene)2(4(2nitrophenyl)piperazin1yl)13thiazol4(5H)one
(5Z)5((5(34DICHLOROPHENYL)FURAN2YL)METHYLIDENE)2(4(2NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(Z)5((5(34dichlorophenyl)furan2yl)methylene)2(4(2nitrophenyl)piperazin1yl)thiazol4(5H)one
573695995
C1CN(CCN1C2=CC=CC=C2(N+)(=O)(O))C3=NC(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)Cl)S3
InChI=1SC24H18Cl2N4O4Sc25177515(1318(17)26)218616(3421)142223(31)2724(3522)2911928(101229)19312420(19)30(32)33h181314H912H2b2214
MFCD04017702
O=C1N=C(SC1=Cc1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccccc1(N+)(=O)(O)
ZINC000101051225
ZINC101051225

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Available files

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