Vitas-M small molecule compound

3-bromo-N'-[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]benzohydrazide

Catalog ID
STL112094
SMILES C=CCn1/c(=N\NC(=O)c2cccc(c2)Br)/scc1c1ccc2c(c1)OCCO2

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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 C21H18BrN3O3S MW 472.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O3S/c1-2-8-25-17(14-6-7-18-19(12-14)28-10-9-27-18)13-29-21(25)24-23-20(26)15-4-3-5-16(22)11-15/h2-7,11-13H,1,8-10H2,(H,23,26)/b24-21+
InChIKey
IYKOHLRKPADHFA-DARPEHSRSA-N
Synonyms

(Z)N(3allyl4(23dihydrobenzo(b)(14)dioxin6yl)thiazol2(3H)ylidene)3bromobenzohydrazidehydrobromide
3bromoN((2E)4(23dihydro14benzodioxin6yl)3(prop2en1yl)13thiazol2(3H)ylidene)benzohydrazide
3BROMON((E)(4(23DIHYDRO14BENZODIOXIN6YL)3PROP2ENYL13THIAZOL2YLIDENE)AMINO)BENZAMIDE
C=CCN1C(=CSC1=NNC(=O)C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)OCCO4
C=CCn1c(=NNC(=O)c2cccc(c2)Br)scc1c1ccc2c(c1)OCCO2
C=CCn1c(=NNC(=O)c2cccc(c2)Br)scc1c1ccc2c(c1)OCCO2Br
InChI=1SC21H18BrN3O3Sc1282517(14671819(1214)281092718)132921(25)242320(26)1543516(22)1115h271113H1810H2(H2326)b2421+
MFCD01534578
N((4(2H3HBENZO(34E)14DIOXAN6YL)3PROP2ENYL(13THIAZOLIN2YLIDENE))AZAMETHYL)(3BROMOPHENYL)CARBOXAMIDE
ZINC000001497952
ZINC13739296

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Available files

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