Vitas-M small molecule compound

[2-(1,3-benzothiazol-2-yl-kappaN)-1,1-diethylguanidinato-kappaN'](dipropyl)boron

Catalog ID
STK030911
SMILES CCC[B-]1(CCC)NC(=Nc2[n+]1c1ccccc1s2)N(CC)CC

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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 C18H29BN4S MW 344.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29BN4S/c1-5-13-19(14-6-2)21-17(22(7-3)8-4)20-18-23(19)15-11-9-10-12-16(15)24-18/h9-12H,5-8,13-14H2,1-4H3,(H,20,21)
InChIKey
MKHNNCURLSCLNP-UHFFFAOYSA-N
Synonyms

(2(13BENZOTHIAZOL2YLKAPPAN)11DIETHYLGUANIDINATOKAPPAN)(DIPROPYL)BORON
(B)1(N=C(NC2=(N+)1C3=CC=CC=C3S2)N(CC)CC)(CCC)CCC
CCC(B)1(CCC)NC(=Nc2(n+)1c1ccccc1s2)N(CC)CC
InChI=1SC18H29BN4Sc151319(1462)2117(22(73)84)201823(19)15119101216(15)2418h912H581314H214H3(H2021)
MFCD01115045
STK030911
ZINC000169795520
ZINC169795520

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Available files

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