Vitas-M small molecule compound

N-[(2Z)-5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3,4-dimethylbenzamide

Catalog ID
STK610853
SMILES O=C(c1ccc(c(c1)C)C)/N=c\1/[nH]nc(s1)CC1=CCCCC1

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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 C18H21N3OS MW 327.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3OS/c1-12-8-9-15(10-13(12)2)17(22)19-18-21-20-16(23-18)11-14-6-4-3-5-7-14/h6,8-10H,3-5,7,11H2,1-2H3,(H,19,21,22)
InChIKey
PSZYICLYNGCDHZ-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CCCCC3)C
InChI=1SC18H21N3OSc1128915(1013(12)2)17(22)1918212016(2318)11146435714h6810H35711H212H3(H192122)
MFCD08732009
N((2Z)5(cyclohex1en1ylmethyl)134thiadiazol2(3H)ylidene)34dimethylbenzamide
N(5(CYCLOHEXEN1YLMETHYL)134THIADIAZOL2YL)34DIMETHYLBENZAMIDE
O=C(c1ccc(c(c1)C)C)N=c1(nH)nc(s1)CC1=CCCCC1
ZINC000017056610
ZINC17056610

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Available files

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