Vitas-M small molecule compound

N-(4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide

Catalog ID
STK538982
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

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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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c1-3-17-32-27(34)25-26(23-10-6-5-9-20(23)18-29(25)15-7-4-8-16-29)31-28(32)36-19-24(33)30-21-11-13-22(35-2)14-12-21/h3,5-6,9-14H,1,4,7-8,15-19H2,2H3,(H,30,33)
InChIKey
OCGWDQOHQLTDTJ-UHFFFAOYSA-N
Synonyms
370868-91-0
2((3allyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(4methoxyphenyl)acetamide
370868910
COC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)C4(CCCCC4)CC5=CC=CC=C53
InChI=1SC29H31N3O3Sc13173227(34)2526(231065920(23)1829(25)157481629)3128(32)361924(33)3021111322(352)141221h356914H14781519H22H3(H3033)
MFCD03010512
N(4methoxyphenyl)2((4oxo3(prop2en1yl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(4METHOXYPHENYL)2((4OXO3PROP2EN1YL46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)2YL)SULFANYL)ACETAMIDE
N(4METHOXYPHENYL)2(4OXO3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000001894276
ZINC01894276
ZINC1894276

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Available files

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