Vitas-M small molecule compound

methyl (2E)-2-({[(3,4-dimethoxyphenyl)carbonyl]carbamothioyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate

Catalog ID
STK583236
SMILES COC(=O)c1s/c(=N/C(=S)NC(=O)c2ccc(c(c2)OC)OC)/[nH]c1C

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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 C16H17N3O5S2 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5S2/c1-8-12(14(21)24-4)26-16(17-8)19-15(25)18-13(20)9-5-6-10(22-2)11(7-9)23-3/h5-7H,1-4H3,(H2,17,18,19,20,25)
InChIKey
QBDSZWBECULBSH-UHFFFAOYSA-N
Synonyms
364747-16-0
364747160
CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC)C(=O)OC
COC(=O)c1sc(=NC(=S)NC(=O)c2ccc(c(c2)OC)OC)(nH)c1C
InChI=1SC16H17N3O5S2c1812(14(21)244)2616(178)1915(25)1813(20)95610(222)11(79)233h57H14H3(H21718192025)
methyl(2E)2((((34dimethoxyphenyl)carbonyl)carbamothioyl)imino)4methyl23dihydro13thiazole5carboxylate
METHYL2((34DIMETHOXYBENZOYL)CARBAMOTHIOYLAMINO)4METHYL13THIAZOLE5CARBOXYLATE
MFCD07200388
ZINC000009109649
ZINC09109649
ZINC9109649

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Available files

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